(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide

C18H29N3OS — CID 95307464

IUPAC(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H29N3OS/c1-20-9-3-2-8-17(20)18(22)19-12-15-6-4-10-21(13-15)14-16-7-5-11-23-16/h5,7,11,15,17H,2-4,6,8-10,12-14H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyZELADUBFLZWTJA-DOTOQJQBSA-N
MW335.52 g/mol
LogP2.56
Rot. Bonds5

About (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide

(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide (PubChem CID 95307464) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
PubChem CID95307464
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H29N3OS/c1-20-9-3-2-8-17(20)18(22)19-12-15-6-4-10-21(13-15)14-16-7-5-11-23-16/h5,7,11,15,17H,2-4,6,8-10,12-14H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyZELADUBFLZWTJA-DOTOQJQBSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide (CID 95307464) is (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide is CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1.
What is the InChIKey of (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide?
The InChIKey is ZELADUBFLZWTJA-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-20-9-3-2-8-17(20)18(22)19-12-15-6-4-10-21(13-15)14-16-7-5-11-23-16/h5,7,11,15,17H,2-4,6,8-10,12-14H2,1H3,(H,19,22)/t15-,17+/m0/s1.
What are the key properties of (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide?
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 95307464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).