(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride

C9H20ClN3O — CID 172646385

IUPAC(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC[C@H](NC)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-3-11-9(13)12-6-4-5-8(7-12)10-2;/h8,10H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyDNDRTABOCVPOAA-QRPNPIFTSA-N
MW221.73 g/mol
LogP0.82
Rot. Bonds2

About (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride

(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride (PubChem CID 172646385) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
PubChem CID172646385
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC[C@H](NC)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-3-11-9(13)12-6-4-5-8(7-12)10-2;/h8,10H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyDNDRTABOCVPOAA-QRPNPIFTSA-N
XLogP0.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
N,4-diethylazepane-1-carboxamide
CID 89043568

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride (CID 172646385) is (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride is CCNC(=O)N1CCC[C@H](NC)C1.Cl.
What is the InChIKey of (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride?
The InChIKey is DNDRTABOCVPOAA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-3-11-9(13)12-6-4-5-8(7-12)10-2;/h8,10H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride?
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 172646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).