(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C15H22N4O2 — CID 6557830

IUPAC(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyRJGWWPXUFUHQRJ-OLZOCXBDSA-N
MW290.37 g/mol
LogP0.99
Rot. Bonds4

About (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 6557830) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID6557830
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20)/t12-,13+/m1/s1
InChIKeyRJGWWPXUFUHQRJ-OLZOCXBDSA-N
XLogP0.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
2-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 53556600
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364994
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366665
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366895
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97379846
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388455

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 6557830) is (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RJGWWPXUFUHQRJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 6557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).