N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide

C16H25N3O2 — CID 17185489

IUPACN-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(3)5-6-15(14)21-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20)
InChIKeyVSNMBXNROCNNJO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.56
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17185489) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID17185489
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(3)5-6-15(14)21-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20)
InChIKeyVSNMBXNROCNNJO-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277
4-[(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 46100839
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 92769484
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2958014

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 17185489) is N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VSNMBXNROCNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(3)5-6-15(14)21-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17185489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).