(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide

C22H42N4O — CID 28908527

IUPAC(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCCN1CC
InChIInChI=1S/C22H42N4O/c1-4-24-13-7-6-8-21(24)22(27)25(5-2)18-19-9-16-26(17-10-19)20-11-14-23(3)15-12-20/h19-21H,4-18H2,1-3H3/t21-/m0/s1
InChIKeyIARSYPJIOGVURM-NRFANRHFSA-N
MW378.61 g/mol
LogP2.52
Rot. Bonds6

About (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide

(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 28908527) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
PubChem CID28908527
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCCN1CC
InChIInChI=1S/C22H42N4O/c1-4-24-13-7-6-8-21(24)22(27)25(5-2)18-19-9-16-26(17-10-19)20-11-14-23(3)15-12-20/h19-21H,4-18H2,1-3H3/t21-/m0/s1
InChIKeyIARSYPJIOGVURM-NRFANRHFSA-N
XLogP2.52
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide (CID 28908527) is (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCCN1CC.
What is the InChIKey of (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is IARSYPJIOGVURM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H42N4O/c1-4-24-13-7-6-8-21(24)22(27)25(5-2)18-19-9-16-26(17-10-19)20-11-14-23(3)15-12-20/h19-21H,4-18H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide?
(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 378.61 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 28908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).