N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide

C21H30N4O — CID 141072356

IUPACN,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-25(4-2)21(26)17-7-9-18(10-8-17)23-19-11-14-24(15-12-19)16-20-6-5-13-22-20/h5-10,13,19,22-23H,3-4,11-12,14-16H2,1-2H3
InChIKeyQHMLBNNEZOZFSL-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.57
Rot. Bonds7

About N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide

N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide (PubChem CID 141072356) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
PubChem CID141072356
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-25(4-2)21(26)17-7-9-18(10-8-17)23-19-11-14-24(15-12-19)16-20-6-5-13-22-20/h5-10,13,19,22-23H,3-4,11-12,14-16H2,1-2H3
InChIKeyQHMLBNNEZOZFSL-UHFFFAOYSA-N
XLogP3.57
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
CID 141060504
N,N-diethyl-4-[[(3S)-thian-3-yl]amino]benzamide
CID 99836848
4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
CID 141060502
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
4-[[4-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]methyl]-N,N-diethylbenzamide
CID 19760346
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
4-[[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 110985335
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 163327898
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide (CID 141072356) is N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The InChIKey is QHMLBNNEZOZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-25(4-2)21(26)17-7-9-18(10-8-17)23-19-11-14-24(15-12-19)16-20-6-5-13-22-20/h5-10,13,19,22-23H,3-4,11-12,14-16H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide has a molecular weight of 354.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide is sourced from PubChem (CID 141072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).