(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide

C10H21N3O — CID 94475900

IUPAC(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCN[C@H]1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9,11H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyYATUTXYHYZRMSV-VIFPVBQESA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds2

About (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 94475900) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID94475900
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCN[C@H]1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9,11H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1
InChIKeyYATUTXYHYZRMSV-VIFPVBQESA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
CID 140701230
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide (CID 94475900) is (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide is CN[C@H]1CCCN(C(=O)NC(C)C)C1.
What is the InChIKey of (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is YATUTXYHYZRMSV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9,11H,4-7H2,1-3H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 94475900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).