N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide

C19H23N5O2 — CID 174909845

IUPACN-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
SMILESNCc1cccc(NC(=O)c2ccc(NC(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C19H23N5O2/c20-13-14-2-1-3-17(12-14)22-18(25)15-4-6-16(7-5-15)23-19(26)24-10-8-21-9-11-24/h1-7,12,21H,8-11,13,20H2,(H,22,25)(H,23,26)
InChIKeyFMJFOKBWUXBFQR-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.83
Rot. Bonds4

About N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide

N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide (PubChem CID 174909845) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
PubChem CID174909845
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
SMILESNCc1cccc(NC(=O)c2ccc(NC(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C19H23N5O2/c20-13-14-2-1-3-17(12-14)22-18(25)15-4-6-16(7-5-15)23-19(26)24-10-8-21-9-11-24/h1-7,12,21H,8-11,13,20H2,(H,22,25)(H,23,26)
InChIKeyFMJFOKBWUXBFQR-UHFFFAOYSA-N
XLogP1.83
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
CID 115340755
N-[3-[[3-chloro-4-(hydroxymethyl)benzoyl]amino]phenyl]piperazine-1-carboxamide
CID 167918831
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 161429072
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide (CID 174909845) is N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide is NCc1cccc(NC(=O)c2ccc(NC(=O)N3CCNCC3)cc2)c1.
What is the InChIKey of N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide?
The InChIKey is FMJFOKBWUXBFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-13-14-2-1-3-17(12-14)22-18(25)15-4-6-16(7-5-15)23-19(26)24-10-8-21-9-11-24/h1-7,12,21H,8-11,13,20H2,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide?
N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 174909845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).