2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

C24H28N6O2 — CID 110084642

IUPAC2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)ncc1C(=O)N(C)C
InChIInChI=1S/C24H28N6O2/c1-15-18(24(32)28(2)3)13-25-22(27-15)21-6-4-5-11-29(21)23(31)16-7-10-20-19(12-16)26-14-30(20)17-8-9-17/h7,10,12-14,17,21H,4-6,8-9,11H2,1-3H3
InChIKeyHFFWXIHDZRSVFO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (PubChem CID 110084642) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
PubChem CID110084642
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)ncc1C(=O)N(C)C
InChIInChI=1S/C24H28N6O2/c1-15-18(24(32)28(2)3)13-25-22(27-15)21-6-4-5-11-29(21)23(31)16-7-10-20-19(12-16)26-14-30(20)17-8-9-17/h7,10,12-14,17,21H,4-6,8-9,11H2,1-3H3
InChIKeyHFFWXIHDZRSVFO-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806803
N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806040
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (CID 110084642) is 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)ncc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The InChIKey is HFFWXIHDZRSVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15-18(24(32)28(2)3)13-25-22(27-15)21-6-4-5-11-29(21)23(31)16-7-10-20-19(12-16)26-14-30(20)17-8-9-17/h7,10,12-14,17,21H,4-6,8-9,11H2,1-3H3.
What are the key properties of 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).