1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C20H32N4O — CID 125167922

IUPAC1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCN1CCN(CC[C@H]2CCCCN2C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C20H32N4O/c1-22-14-16-23(17-15-22)13-9-19-4-2-3-12-24(19)20(25)6-5-18-7-10-21-11-8-18/h7-8,10-11,19H,2-6,9,12-17H2,1H3/t19-/m1/s1
InChIKeyKMKYHSABWYZDHV-LJQANCHMSA-N
MW344.50 g/mol
LogP2.03
Rot. Bonds6

About 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 125167922) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID125167922
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCN1CCN(CC[C@H]2CCCCN2C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C20H32N4O/c1-22-14-16-23(17-15-22)13-9-19-4-2-3-12-24(19)20(25)6-5-18-7-10-21-11-8-18/h7-8,10-11,19H,2-6,9,12-17H2,1H3/t19-/m1/s1
InChIKeyKMKYHSABWYZDHV-LJQANCHMSA-N
XLogP2.03
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one 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

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 70740922
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 131906931
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
CID 125158868
1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70777268

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 125167922) is 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is CN1CCN(CC[C@H]2CCCCN2C(=O)CCc2ccncc2)CC1.
What is the InChIKey of 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is KMKYHSABWYZDHV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-14-16-23(17-15-22)13-9-19-4-2-3-12-24(19)20(25)6-5-18-7-10-21-11-8-18/h7-8,10-11,19H,2-6,9,12-17H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 125167922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).