4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide

C20H33N5O — CID 125442702

IUPAC4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1
InChIInChI=1S/C20H33N5O/c1-3-18(24-11-5-4-6-12-24)15-22-20(26)25-13-8-17(9-14-25)19-7-10-21-16(2)23-19/h7,10,17-18H,3-6,8-9,11-15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyCPHVVMQRUTZOJZ-GOSISDBHSA-N
MW359.52 g/mol
LogP2.94
Rot. Bonds5

About 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide

4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide (PubChem CID 125442702) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
PubChem CID125442702
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1
InChIInChI=1S/C20H33N5O/c1-3-18(24-11-5-4-6-12-24)15-22-20(26)25-13-8-17(9-14-25)19-7-10-21-16(2)23-19/h7,10,17-18H,3-6,8-9,11-15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyCPHVVMQRUTZOJZ-GOSISDBHSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide (CID 125442702) is 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide is CC[C@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1.
What is the InChIKey of 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide?
The InChIKey is CPHVVMQRUTZOJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-18(24-11-5-4-6-12-24)15-22-20(26)25-13-8-17(9-14-25)19-7-10-21-16(2)23-19/h7,10,17-18H,3-6,8-9,11-15H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide?
4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide is sourced from PubChem (CID 125442702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).