1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide

C14H21N5O2 — CID 50982280

IUPAC1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(N3CCC(O)C3)n2)CC1
InChIInChI=1S/C14H21N5O2/c15-13(21)10-2-6-18(7-3-10)14-16-5-1-12(17-14)19-8-4-11(20)9-19/h1,5,10-11,20H,2-4,6-9H2,(H2,15,21)
InChIKeyOEZFPMBAYKLFRR-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.25
Rot. Bonds3

About 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 50982280) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID50982280
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(N3CCC(O)C3)n2)CC1
InChIInChI=1S/C14H21N5O2/c15-13(21)10-2-6-18(7-3-10)14-16-5-1-12(17-14)19-8-4-11(20)9-19/h1,5,10-11,20H,2-4,6-9H2,(H2,15,21)
InChIKeyOEZFPMBAYKLFRR-UHFFFAOYSA-N
XLogP-0.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 95124915
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
4-ethyl-5-[1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 95209992
4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95128012
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56897191
1-(4-carbamothioylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 114081983
1'-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579260
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 50982280) is 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccc(N3CCC(O)C3)n2)CC1.
What is the InChIKey of 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is OEZFPMBAYKLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-13(21)10-2-6-18(7-3-10)14-16-5-1-12(17-14)19-8-4-11(20)9-19/h1,5,10-11,20H,2-4,6-9H2,(H2,15,21).
What are the key properties of 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50982280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).