2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide

C25H34N4O — CID 47487849

IUPAC2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1
InChIInChI=1S/C25H34N4O/c1-19(2)26-25(30)24(21-7-4-3-5-8-21)27-22-9-6-10-23(17-22)29-15-13-28(14-16-29)18-20-11-12-20/h3-10,17,19-20,24,27H,11-16,18H2,1-2H3,(H,26,30)
InChIKeyVVLLHEKGISINCD-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.90
Rot. Bonds8

About 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide

2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide (PubChem CID 47487849) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
PubChem CID47487849
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1
InChIInChI=1S/C25H34N4O/c1-19(2)26-25(30)24(21-7-4-3-5-8-21)27-22-9-6-10-23(17-22)29-15-13-28(14-16-29)18-20-11-12-20/h3-10,17,19-20,24,27H,11-16,18H2,1-2H3,(H,26,30)
InChIKeyVVLLHEKGISINCD-UHFFFAOYSA-N
XLogP3.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide
CID 47072927
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide
CID 55914592
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
CID 76869763
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 31420058

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide (CID 47487849) is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide is CC(C)NC(=O)C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1.
What is the InChIKey of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is VVLLHEKGISINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-19(2)26-25(30)24(21-7-4-3-5-8-21)27-22-9-6-10-23(17-22)29-15-13-28(14-16-29)18-20-11-12-20/h3-10,17,19-20,24,27H,11-16,18H2,1-2H3,(H,26,30).
What are the key properties of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide?
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 406.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 47487849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).