N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide

C21H37N3O2S — CID 30869368

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C3CCSCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2S/c25-21(22-16-20-2-1-13-26-20)17-3-9-23(10-4-17)18-5-11-24(12-6-18)19-7-14-27-15-8-19/h17-20H,1-16H2,(H,22,25)/t20-/m0/s1
InChIKeyBJJQNSPHTGEFTP-FQEVSTJZSA-N
MW395.61 g/mol
LogP2.35
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 30869368) has the molecular formula C21H37N3O2S and a molecular weight of 395.61 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID30869368
Molecular FormulaC21H37N3O2S
Molecular Weight395.61 g/mol
Exact Mass395.26
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C3CCSCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2S/c25-21(22-16-20-2-1-13-26-20)17-3-9-23(10-4-17)18-5-11-24(12-6-18)19-7-14-27-15-8-19/h17-20H,1-16H2,(H,22,25)/t20-/m0/s1
InChIKeyBJJQNSPHTGEFTP-FQEVSTJZSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.61
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42458414
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 28734925
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide (CID 30869368) is N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C3CCSCC3)CC2)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BJJQNSPHTGEFTP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H37N3O2S/c25-21(22-16-20-2-1-13-26-20)17-3-9-23(10-4-17)18-5-11-24(12-6-18)19-7-14-27-15-8-19/h17-20H,1-16H2,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 395.61 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30869368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).