4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide

C21H27ClN4O2 — CID 18663154

IUPAC4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C(C)C)cc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H27ClN4O2/c1-14(2)18-13-19(20(28-4)23-15(18)3)24-21(27)26-10-8-25(9-11-26)17-7-5-6-16(22)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,27)
InChIKeyKFZIRCCIWWTFPL-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.53
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663154) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663154
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1nc(C)c(C(C)C)cc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H27ClN4O2/c1-14(2)18-13-19(20(28-4)23-15(18)3)24-21(27)26-10-8-25(9-11-26)17-7-5-6-16(22)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,27)
InChIKeyKFZIRCCIWWTFPL-UHFFFAOYSA-N
XLogP4.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663153
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
CID 136559298
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide (CID 18663154) is 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide is COc1nc(C)c(C(C)C)cc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is KFZIRCCIWWTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-14(2)18-13-19(20(28-4)23-15(18)3)24-21(27)26-10-8-25(9-11-26)17-7-5-6-16(22)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,27).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).