2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide

C22H30N4O — CID 119891449

IUPAC2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-25(22(27)20(23)16-18-8-4-3-5-9-18)17-19-11-14-26(15-12-19)21-10-6-7-13-24-21/h3-10,13,19-20H,2,11-12,14-17,23H2,1H3
InChIKeyBPPOVTAELNNMAA-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.72
Rot. Bonds7

About 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide

2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 119891449) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
PubChem CID119891449
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-25(22(27)20(23)16-18-8-4-3-5-9-18)17-19-11-14-26(15-12-19)21-10-6-7-13-24-21/h3-10,13,19-20H,2,11-12,14-17,23H2,1H3
InChIKeyBPPOVTAELNNMAA-UHFFFAOYSA-N
XLogP2.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide (CID 119891449) is 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide is CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is BPPOVTAELNNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-25(22(27)20(23)16-18-8-4-3-5-9-18)17-19-11-14-26(15-12-19)21-10-6-7-13-24-21/h3-10,13,19-20H,2,11-12,14-17,23H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide?
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 119891449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).