(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide

C16H25N7O2 — CID 97112972

IUPAC(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)nc(N)n1
InChIInChI=1S/C16H25N7O2/c1-11-9-13(20-15(17)19-11)21-5-7-22(8-6-21)14(24)12-3-2-4-23(10-12)16(18)25/h9,12H,2-8,10H2,1H3,(H2,18,25)(H2,17,19,20)/t12-/m1/s1
InChIKeyYKUMRJKKPRHBBJ-GFCCVEGCSA-N
MW347.42 g/mol
LogP-0.19
Rot. Bonds2

About (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 97112972) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID97112972
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)nc(N)n1
InChIInChI=1S/C16H25N7O2/c1-11-9-13(20-15(17)19-11)21-5-7-22(8-6-21)14(24)12-3-2-4-23(10-12)16(18)25/h9,12H,2-8,10H2,1H3,(H2,18,25)(H2,17,19,20)/t12-/m1/s1
InChIKeyYKUMRJKKPRHBBJ-GFCCVEGCSA-N
XLogP-0.19
TPSA121.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide with MolForge

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Related Compounds

5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72930514
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
(3S)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 34307806
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 43043398
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 97112972) is (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide is Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)nc(N)n1.
What is the InChIKey of (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is YKUMRJKKPRHBBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-11-9-13(20-15(17)19-11)21-5-7-22(8-6-21)14(24)12-3-2-4-23(10-12)16(18)25/h9,12H,2-8,10H2,1H3,(H2,18,25)(H2,17,19,20)/t12-/m1/s1.
What are the key properties of (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 97112972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).