N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide

C24H37N5O2 — CID 42848378

IUPACN-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCN(C)CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C3CC3)CC2)CC1
InChIInChI=1S/C24H37N5O2/c1-26(2)13-14-27-15-17-29(18-16-27)24(31)21-5-3-4-6-22(21)28-11-9-20(10-12-28)25-23(30)19-7-8-19/h3-6,19-20H,7-18H2,1-2H3,(H,25,30)
InChIKeyNVCCJHKOQOECRQ-UHFFFAOYSA-N
MW427.59 g/mol
LogP1.50
Rot. Bonds7

About N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 42848378) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID42848378
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCN(C)CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C3CC3)CC2)CC1
InChIInChI=1S/C24H37N5O2/c1-26(2)13-14-27-15-17-29(18-16-27)24(31)21-5-3-4-6-22(21)28-11-9-20(10-12-28)25-23(30)19-7-8-19/h3-6,19-20H,7-18H2,1-2H3,(H,25,30)
InChIKeyNVCCJHKOQOECRQ-UHFFFAOYSA-N
XLogP1.50
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 46038383
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847952
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide (CID 42848378) is N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide is CN(C)CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C3CC3)CC2)CC1.
What is the InChIKey of N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is NVCCJHKOQOECRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-26(2)13-14-27-15-17-29(18-16-27)24(31)21-5-3-4-6-22(21)28-11-9-20(10-12-28)25-23(30)19-7-8-19/h3-6,19-20H,7-18H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 427.59 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42848378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).