(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide

C15H21N3O3 — CID 95302032

IUPAC(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(CN2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10-6-7-13(15(16)19)9-17(10)8-12-4-3-5-14(11(12)2)18(20)21/h3-5,10,13H,6-9H2,1-2H3,(H2,16,19)/t10-,13+/m0/s1
InChIKeyGNVYTMPRYUWXIM-GXFFZTMASA-N
MW291.35 g/mol
LogP1.99
Rot. Bonds4

About (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide

(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95302032) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
PubChem CID95302032
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(CN2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10-6-7-13(15(16)19)9-17(10)8-12-4-3-5-14(11(12)2)18(20)21/h3-5,10,13H,6-9H2,1-2H3,(H2,16,19)/t10-,13+/m0/s1
InChIKeyGNVYTMPRYUWXIM-GXFFZTMASA-N
XLogP1.99
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 115486068
1-[(2-methyl-3-nitrophenyl)methyl]azepane-2-carboxylic acid
CID 64563174
(3S,6S)-6-methyl-1-[(5-nitrothiophen-3-yl)methyl]piperidine-3-carboxamide
CID 95308262
1-[(2-bromo-3-nitrophenyl)methyl]-2,5-dimethylpiperidine
CID 114048666
(3S)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 81491890
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 97246020
(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
2-[4-[(2-methyl-3-nitrophenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66443984
1-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908405
3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 54989275
methyl 1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxylate
CID 78920344

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide (CID 95302032) is (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide is Cc1c(CN2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-].
What is the InChIKey of (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GNVYTMPRYUWXIM-GXFFZTMASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-6-7-13(15(16)19)9-17(10)8-12-4-3-5-14(11(12)2)18(20)21/h3-5,10,13H,6-9H2,1-2H3,(H2,16,19)/t10-,13+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95302032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).