N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

C19H28FN3O — CID 113107381

IUPACN-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H28FN3O/c20-18-10-6-5-7-16(18)15-22-11-13-23(14-12-22)19(24)21-17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2,(H,21,24)
InChIKeyQRVLAUVKHNIGQO-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.38
Rot. Bonds3

About N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107381) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113107381
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H28FN3O/c20-18-10-6-5-7-16(18)15-22-11-13-23(14-12-22)19(24)21-17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2,(H,21,24)
InChIKeyQRVLAUVKHNIGQO-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-[2-[4-carbamoyl-1-[(2-fluorophenyl)methyl]-5-methylpyrrol-2-yl]-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 134083389
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113107381) is N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is QRVLAUVKHNIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-18-10-6-5-7-16(18)15-22-11-13-23(14-12-22)19(24)21-17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2,(H,21,24).
What are the key properties of N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).