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

C23H34N4O — CID 141060504

IUPACN,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
SMILESCC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1)C(C)C
InChIInChI=1S/C23H34N4O/c1-17(2)27(18(3)4)23(28)19-7-9-20(10-8-19)25-21-11-14-26(15-12-21)16-22-6-5-13-24-22/h5-10,13,17-18,21,24-25H,11-12,14-16H2,1-4H3
InChIKeyVUDRZNCOPPXMML-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.35
Rot. Bonds7

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

N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide (PubChem CID 141060504) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
PubChem CID141060504
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
SMILESCC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1)C(C)C
InChIInChI=1S/C23H34N4O/c1-17(2)27(18(3)4)23(28)19-7-9-20(10-8-19)25-21-11-14-26(15-12-21)16-22-6-5-13-24-22/h5-10,13,17-18,21,24-25H,11-12,14-16H2,1-4H3
InChIKeyVUDRZNCOPPXMML-UHFFFAOYSA-N
XLogP4.35
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The IUPAC name of N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide (CID 141060504) is N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide.
What is the SMILES notation for N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The canonical SMILES for N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide is CC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccc[nH]3)CC2)cc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
The InChIKey is VUDRZNCOPPXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(2)27(18(3)4)23(28)19-7-9-20(10-8-19)25-21-11-14-26(15-12-21)16-22-6-5-13-24-22/h5-10,13,17-18,21,24-25H,11-12,14-16H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide?
N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide has a molecular weight of 382.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide is sourced from PubChem (CID 141060504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).