(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

C20H33N5O — CID 129072550

IUPAC(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCC(C[C@H](N)C(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-2-9-23-10-5-17(6-11-23)16-19(21)20(26)25-14-12-24(13-15-25)18-3-7-22-8-4-18/h3-4,7-8,17,19H,2,5-6,9-16,21H2,1H3/t19-/m0/s1
InChIKeyPCVGGEPZRDURRV-IBGZPJMESA-N
MW359.52 g/mol
LogP1.57
Rot. Bonds6

About (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 129072550) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID129072550
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCC(C[C@H](N)C(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-2-9-23-10-5-17(6-11-23)16-19(21)20(26)25-14-12-24(13-15-25)18-3-7-22-8-4-18/h3-4,7-8,17,19H,2,5-6,9-16,21H2,1H3/t19-/m0/s1
InChIKeyPCVGGEPZRDURRV-IBGZPJMESA-N
XLogP1.57
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(2S)-2-amino-3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]piperidin-1-yl]pentan-1-one
CID 129086287
[1-oxo-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamic acid
CID 139347387
benzyl N-[(2S)-1-oxo-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamate
CID 140783806
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129094175
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-(butylsulfonylamino)-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetic acid
CID 70189907
(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
CID 99697299
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
CID 67706422
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (CID 129072550) is (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is CCCN1CCC(C[C@H](N)C(=O)N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is PCVGGEPZRDURRV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-9-23-10-5-17(6-11-23)16-19(21)20(26)25-14-12-24(13-15-25)18-3-7-22-8-4-18/h3-4,7-8,17,19H,2,5-6,9-16,21H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 359.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 129072550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).