(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide

C19H32N4O — CID 119891501

IUPAC(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C19H32N4O/c1-4-22(19(24)17(20)13-15(2)3)14-16-8-11-23(12-9-16)18-7-5-6-10-21-18/h5-7,10,15-17H,4,8-9,11-14,20H2,1-3H3/t17-/m0/s1
InChIKeyZBFBHTYVZAFHFB-KRWDZBQOSA-N
MW332.49 g/mol
LogP2.52
Rot. Bonds7

About (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide

(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide (PubChem CID 119891501) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
PubChem CID119891501
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C19H32N4O/c1-4-22(19(24)17(20)13-15(2)3)14-16-8-11-23(12-9-16)18-7-5-6-10-21-18/h5-7,10,15-17H,4,8-9,11-14,20H2,1-3H3/t17-/m0/s1
InChIKeyZBFBHTYVZAFHFB-KRWDZBQOSA-N
XLogP2.52
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
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
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide (CID 119891501) is (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide is CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide?
The InChIKey is ZBFBHTYVZAFHFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-22(19(24)17(20)13-15(2)3)14-16-8-11-23(12-9-16)18-7-5-6-10-21-18/h5-7,10,15-17H,4,8-9,11-14,20H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide?
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide has a molecular weight of 332.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide is sourced from PubChem (CID 119891501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).