(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide

C17H33N3O2 — CID 120646459

IUPAC(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C17H33N3O2/c1-13-10-16(4-7-18-13)17(22)19(3)12-15-5-8-20(9-6-15)11-14(2)21/h13-16,18,21H,4-12H2,1-3H3/t13-,14?,16-/m0/s1
InChIKeyBVYCSKXHEKLBMC-SFIRGFGWSA-N
MW311.47 g/mol
LogP0.93
Rot. Bonds5

About (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120646459) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120646459
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C17H33N3O2/c1-13-10-16(4-7-18-13)17(22)19(3)12-15-5-8-20(9-6-15)11-14(2)21/h13-16,18,21H,4-12H2,1-3H3/t13-,14?,16-/m0/s1
InChIKeyBVYCSKXHEKLBMC-SFIRGFGWSA-N
XLogP0.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-(cyclopentylmethyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120628237
N-(cyclohexylmethyl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739450
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941341
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
CID 120941340
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
CID 120503814
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 106739309
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120646459) is (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide is CC(O)CN1CCC(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is BVYCSKXHEKLBMC-SFIRGFGWSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13-10-16(4-7-18-13)17(22)19(3)12-15-5-8-20(9-6-15)11-14(2)21/h13-16,18,21H,4-12H2,1-3H3/t13-,14?,16-/m0/s1.
What are the key properties of (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120646459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).