(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide

C24H34N2OS2 — CID 25382686

IUPAC(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1
InChIInChI=1S/C24H34N2OS2/c1-25(17-18-5-9-22(10-6-18)26-11-3-2-4-12-26)23(27)19-15-20-7-8-21(16-19)24(20)28-13-14-29-24/h5-6,9-10,19-21H,2-4,7-8,11-17H2,1H3/t19?,20-,21+
InChIKeyIQWRNSKEGRNRHZ-SEJPIABJSA-N
MW430.68 g/mol
LogP5.25
Rot. Bonds4

About (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide

(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide (PubChem CID 25382686) has the molecular formula C24H34N2OS2 and a molecular weight of 430.68 g/mol. Its IUPAC name is (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide.

Molecular Properties

Compound Name(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
PubChem CID25382686
Molecular FormulaC24H34N2OS2
Molecular Weight430.68 g/mol
Exact Mass430.21
IUPAC Name(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1
InChIInChI=1S/C24H34N2OS2/c1-25(17-18-5-9-22(10-6-18)26-11-3-2-4-12-26)23(27)19-15-20-7-8-21(16-19)24(20)28-13-14-29-24/h5-6,9-10,19-21H,2-4,7-8,11-17H2,1H3/t19?,20-,21+
InChIKeyIQWRNSKEGRNRHZ-SEJPIABJSA-N
XLogP5.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
(1'R,5'R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 50986064
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395
3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 47040746
(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95100909
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928

Frequently Asked Questions

What is the IUPAC name of (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The IUPAC name of (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide (CID 25382686) is (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide.
What is the SMILES notation for (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The canonical SMILES for (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1.
What is the InChIKey of (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
The InChIKey is IQWRNSKEGRNRHZ-SEJPIABJSA-N. The full InChI is InChI=1S/C24H34N2OS2/c1-25(17-18-5-9-22(10-6-18)26-11-3-2-4-12-26)23(27)19-15-20-7-8-21(16-19)24(20)28-13-14-29-24/h5-6,9-10,19-21H,2-4,7-8,11-17H2,1H3/t19?,20-,21+.
What are the key properties of (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide?
(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide has a molecular weight of 430.68 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide is sourced from PubChem (CID 25382686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).