N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide

C21H33N5O2 — CID 119479808

IUPACN-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N5O2/c22-8-9-23-21(28)19-7-4-10-26(16-19)20(27)17-25-13-11-24(12-14-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17,22H2,(H,23,28)
InChIKeyZRGYLJWVNNLCHV-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.12
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 119479808) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID119479808
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N5O2/c22-8-9-23-21(28)19-7-4-10-26(16-19)20(27)17-25-13-11-24(12-14-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17,22H2,(H,23,28)
InChIKeyZRGYLJWVNNLCHV-UHFFFAOYSA-N
XLogP0.12
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
N-(2-aminoethyl)-1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxamide
CID 119479747
N-(2-aminoethyl)-1-[3-(benzenesulfonamido)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481380
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide (CID 119479808) is N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is ZRGYLJWVNNLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c22-8-9-23-21(28)19-7-4-10-26(16-19)20(27)17-25-13-11-24(12-14-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17,22H2,(H,23,28).
What are the key properties of N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).