N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide

C16H26N4O4S — CID 91837997

IUPACN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
SMILESCN(CCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C16H26N4O4S/c1-19(25(2,23)24)9-7-16(22)18-14-6-10-20(12-15(14)21)11-13-5-3-4-8-17-13/h3-5,8,14-15,21H,6-7,9-12H2,1-2H3,(H,18,22)/t14-,15-/m1/s1
InChIKeyKAYYLFYZMZDSMH-HUUCEWRRSA-N
MW370.48 g/mol
LogP-0.59
Rot. Bonds7

About N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide (PubChem CID 91837997) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
PubChem CID91837997
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
SMILESCN(CCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C16H26N4O4S/c1-19(25(2,23)24)9-7-16(22)18-14-6-10-20(12-15(14)21)11-13-5-3-4-8-17-13/h3-5,8,14-15,21H,6-7,9-12H2,1-2H3,(H,18,22)/t14-,15-/m1/s1
InChIKeyKAYYLFYZMZDSMH-HUUCEWRRSA-N
XLogP-0.59
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 91843528
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91830426
2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
CID 91841222
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 164642664
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
(3R,4R)-4-(1,4-dithiepan-6-ylamino)-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 91830913
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide (CID 91837997) is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide is CN(CCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)S(C)(=O)=O.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide?
The InChIKey is KAYYLFYZMZDSMH-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-19(25(2,23)24)9-7-16(22)18-14-6-10-20(12-15(14)21)11-13-5-3-4-8-17-13/h3-5,8,14-15,21H,6-7,9-12H2,1-2H3,(H,18,22)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide?
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide has a molecular weight of 370.48 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 91837997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).