[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid

C14H17N3O3 — CID 174225559

IUPAC[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid
SMILESC=Cc1cc(C(=O)N2CCC[C@@H](NC(=O)O)C2)ccn1
InChIInChI=1S/C14H17N3O3/c1-2-11-8-10(5-6-15-11)13(18)17-7-3-4-12(9-17)16-14(19)20/h2,5-6,8,12,16H,1,3-4,7,9H2,(H,19,20)/t12-/m1/s1
InChIKeyMYPSGMWGVQSTJC-GFCCVEGCSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds3

About [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid

[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid (PubChem CID 174225559) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid
PubChem CID174225559
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid
SMILESC=Cc1cc(C(=O)N2CCC[C@@H](NC(=O)O)C2)ccn1
InChIInChI=1S/C14H17N3O3/c1-2-11-8-10(5-6-15-11)13(18)17-7-3-4-12(9-17)16-14(19)20/h2,5-6,8,12,16H,1,3-4,7,9H2,(H,19,20)/t12-/m1/s1
InChIKeyMYPSGMWGVQSTJC-GFCCVEGCSA-N
XLogP1.60
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[1-[4-(ethylamino)-3-nitrobenzoyl]piperidin-3-yl]carbamic acid
CID 122702883
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid (CID 174225559) is [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid is C=Cc1cc(C(=O)N2CCC[C@@H](NC(=O)O)C2)ccn1.
What is the InChIKey of [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid?
The InChIKey is MYPSGMWGVQSTJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-11-8-10(5-6-15-11)13(18)17-7-3-4-12(9-17)16-14(19)20/h2,5-6,8,12,16H,1,3-4,7,9H2,(H,19,20)/t12-/m1/s1.
What are the key properties of [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid?
[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid has a molecular weight of 275.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 174225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).