(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide

C18H34N2O2 — CID 95621514

IUPAC(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
SMILESCCC[C@@H](C)CC(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H34N2O2/c1-3-7-16(2)14-17(21)19-15-18(8-12-22-13-9-18)20-10-5-4-6-11-20/h16H,3-15H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyDUYYJTOFKYQENQ-MRXNPFEDSA-N
MW310.48 g/mol
LogP2.96
Rot. Bonds7

About (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide

(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide (PubChem CID 95621514) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
PubChem CID95621514
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
SMILESCCC[C@@H](C)CC(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H34N2O2/c1-3-7-16(2)14-17(21)19-15-18(8-12-22-13-9-18)20-10-5-4-6-11-20/h16H,3-15H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyDUYYJTOFKYQENQ-MRXNPFEDSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide 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

4-[(3-methylhexanoylamino)methyl]oxane-4-carboxylic acid
CID 120542139
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 95619748
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752
2-methyl-1-propyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111836461
N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
CID 111839583
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 51223648

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide?
The IUPAC name of (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide (CID 95621514) is (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide.
What is the SMILES notation for (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide?
The canonical SMILES for (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide is CCC[C@@H](C)CC(=O)NCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide?
The InChIKey is DUYYJTOFKYQENQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-3-7-16(2)14-17(21)19-15-18(8-12-22-13-9-18)20-10-5-4-6-11-20/h16H,3-15H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide?
(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide has a molecular weight of 310.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide is sourced from PubChem (CID 95621514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).