N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide

C22H28N4O2 — CID 110626227

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
SMILESCN1CCN(C(=O)C(NC(=O)CCCc2cccnc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-25-13-15-26(16-14-25)22(28)21(19-9-3-2-4-10-19)24-20(27)11-5-7-18-8-6-12-23-17-18/h2-4,6,8-10,12,17,21H,5,7,11,13-16H2,1H3,(H,24,27)
InChIKeyDNISAYMJNRXNSE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide

N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110626227) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
PubChem CID110626227
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
SMILESCN1CCN(C(=O)C(NC(=O)CCCc2cccnc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-25-13-15-26(16-14-25)22(28)21(19-9-3-2-4-10-19)24-20(27)11-5-7-18-8-6-12-23-17-18/h2-4,6,8-10,12,17,21H,5,7,11,13-16H2,1H3,(H,24,27)
InChIKeyDNISAYMJNRXNSE-UHFFFAOYSA-N
XLogP2.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide with MolForge

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Related Compounds

N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide
CID 110626074
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110306196
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
1-(4-methylpiperazin-1-yl)-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 167684149

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide (CID 110626227) is N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide is CN1CCN(C(=O)C(NC(=O)CCCc2cccnc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is DNISAYMJNRXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-13-15-26(16-14-25)22(28)21(19-9-3-2-4-10-19)24-20(27)11-5-7-18-8-6-12-23-17-18/h2-4,6,8-10,12,17,21H,5,7,11,13-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110626227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).