(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide

C12H22N2O2 — CID 56880274

IUPAC(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H22N2O2/c1-14(8-12(9-15)5-6-12)11(16)10-4-2-3-7-13-10/h10,13,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyYVBGEKIGVJMZJS-JTQLQIEISA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds4

About (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide

(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 56880274) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide
PubChem CID56880274
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H22N2O2/c1-14(8-12(9-15)5-6-12)11(16)10-4-2-3-7-13-10/h10,13,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyYVBGEKIGVJMZJS-JTQLQIEISA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-(hydroxymethyl)-1-isobutyrylhexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
CID 91910012
N~1~-[(3S,4S)-4-(Hydroxymethyl)-1-isopropylhexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
CID 91920868
(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 170128718
(1,3-Dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 133188424
N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 106176984
N-(3-hydroxypropyl)-N-propan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908744
N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114909001
N-{[1-(hydroxymethyl)cyclopropyl]methyl}-N-methyl-2-piperazin-1-ylacetamide
CID 56868111
Me-DL-Pip-DL-Gly(tBu)-DL-N(Me)Val-ol
CID 21032178
N-(2-hydroxyethyl)-1-methylpiperidine-2-carboxamide
CID 53911586
(3S,6R)-3-(3-aminopropyl)-4-cyclopropyl-6-(hydroxymethyl)piperazin-2-one
CID 57940167
Me-DL-Pip-Gly(tBu)-N(Me)Val-ol
CID 58650256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide (CID 56880274) is (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide is CN(CC1(CO)CC1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is YVBGEKIGVJMZJS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(8-12(9-15)5-6-12)11(16)10-4-2-3-7-13-10/h10,13,15H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide?
(2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 56880274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).