(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C15H23N5O2 — CID 95763836

IUPAC(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1
InChIInChI=1S/C15H23N5O2/c16-15(22)11-3-1-5-19(8-11)13-7-14(18-10-17-13)20-6-2-4-12(20)9-21/h7,10-12,21H,1-6,8-9H2,(H2,16,22)/t11-,12-/m0/s1
InChIKeyOEJNSUZEJFEMML-RYUDHWBXSA-N
MW305.38 g/mol
LogP0.14
Rot. Bonds4

About (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide

(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 95763836) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID95763836
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1
InChIInChI=1S/C15H23N5O2/c16-15(22)11-3-1-5-19(8-11)13-7-14(18-10-17-13)20-6-2-4-12(20)9-21/h7,10-12,21H,1-6,8-9H2,(H2,16,22)/t11-,12-/m0/s1
InChIKeyOEJNSUZEJFEMML-RYUDHWBXSA-N
XLogP0.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426
[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100843210
[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133406867

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 95763836) is (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1.
What is the InChIKey of (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is OEJNSUZEJFEMML-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-15(22)11-3-1-5-19(8-11)13-7-14(18-10-17-13)20-6-2-4-12(20)9-21/h7,10-12,21H,1-6,8-9H2,(H2,16,22)/t11-,12-/m0/s1.
What are the key properties of (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95763836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).