(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide

C15H25N5O2 — CID 136916529

IUPAC(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1
InChIKeyULXBMDWUTPRFJN-LLVKDONJSA-N
MW307.40 g/mol
LogP0.13
Rot. Bonds5

About (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide

(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 136916529) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID136916529
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1
InChIKeyULXBMDWUTPRFJN-LLVKDONJSA-N
XLogP0.13
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72874444
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
2-(1-acetyl-6-methyl-3-piperidinyl)-6-hydroxy-4(3H)-Pyrimidinone
CID 154942916
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 154942917
2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 156210372
2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 167376559
2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-chloro-1H-pyrimidin-6-one
CID 169021906
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339735

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 136916529) is (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCC[C@@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ULXBMDWUTPRFJN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 136916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).