(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide

C14H21N3O2 — CID 125179914

IUPAC(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H](N)C2)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-10-8-12(19-2)5-6-13(10)16-14(18)17-7-3-4-11(15)9-17/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyQKEDCCVWDNGXOD-NSHDSACASA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds2

About (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide

(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 125179914) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
PubChem CID125179914
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H](N)C2)c(C)c1
InChIInChI=1S/C14H21N3O2/c1-10-8-12(19-2)5-6-13(10)16-14(18)17-7-3-4-11(15)9-17/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyQKEDCCVWDNGXOD-NSHDSACASA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide
CID 45194231
1-[(4-methoxy-2-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721672
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide (CID 125179914) is (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@H](N)C2)c(C)c1.
What is the InChIKey of (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is QKEDCCVWDNGXOD-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-12(19-2)5-6-13(10)16-14(18)17-7-3-4-11(15)9-17/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide?
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125179914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).