(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one

C19H28ClN3O2 — CID 91279195

IUPAC(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
SMILESCN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)12-18(21-3)19(24)23-10-8-17(9-11-23)22-25-13-15-4-6-16(20)7-5-15/h4-8,14,18,21-22H,9-13H2,1-3H3/t18-/m0/s1
InChIKeyOYKPDQZSPNRRLD-SFHVURJKSA-N
MW365.91 g/mol
LogP3.11
Rot. Bonds8

About (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one

(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one (PubChem CID 91279195) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
PubChem CID91279195
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
SMILESCN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)12-18(21-3)19(24)23-10-8-17(9-11-23)22-25-13-15-4-6-16(20)7-5-15/h4-8,14,18,21-22H,9-13H2,1-3H3/t18-/m0/s1
InChIKeyOYKPDQZSPNRRLD-SFHVURJKSA-N
XLogP3.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-2-(methylamino)-1-[4-[[4-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 90872640
(2S)-4-methyl-2-(methylamino)-1-[4-[[2-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 91190474
(2S)-4-methyl-2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 91327839
(2S)-1-[4-[(4-chlorophenyl)methoxyimino]piperidin-1-yl]-4-methyl-2-(methylamino)pentan-1-one;hydrochloride
CID 24812502
(2S)-1-[4-[(4-chlorophenyl)methoxyimino]piperidin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
CID 24812503
(2S)-1-[4-[(3-chlorophenyl)methoxyimino]piperidin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
CID 57992973
1-[4-[(4-Chlorophenyl)methoxyimino]piperidin-1-yl]-4-methyl-2-(methylamino)pentan-1-one;hydrochloride
CID 74322941
1-((S)-4-Methyl-2-methylaminopentanoyl)piperidin-4-one O-(3-chlorobenzyl)oxime hydrochloride
CID 86636697
1-[4-[(3-Chlorophenyl)methoxyimino]piperidin-1-yl]-4-methyl-2-(methylamino)pentan-1-one;hydrochloride
CID 87661471
3-[[[1-[4-methyl-2-(methylamino)pentanoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]benzonitrile
CID 90720877
tert-butyl N-[1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 91074198
(3S)-3-amino-5-methyl-1-[4-(phenylmethoxyamino)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 91146650

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The IUPAC name of (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one (CID 91279195) is (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one.
What is the SMILES notation for (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The canonical SMILES for (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one is CN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The InChIKey is OYKPDQZSPNRRLD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14(2)12-18(21-3)19(24)23-10-8-17(9-11-23)22-25-13-15-4-6-16(20)7-5-15/h4-8,14,18,21-22H,9-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
(2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one has a molecular weight of 365.91 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one is sourced from PubChem (CID 91279195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).