N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide

C15H21N3O3 — CID 25347780

IUPACN,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
SMILESC[C@@H]1CCCN(c2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H21N3O3/c1-11-5-4-8-17(10-11)13-7-6-12(15(19)16(2)3)9-14(13)18(20)21/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m1/s1
InChIKeyCUAPPNWYNHJISZ-LLVKDONJSA-N
MW291.35 g/mol
LogP2.53
Rot. Bonds3

About N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide

N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide (PubChem CID 25347780) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
PubChem CID25347780
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
SMILESC[C@@H]1CCCN(c2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H21N3O3/c1-11-5-4-8-17(10-11)13-7-6-12(15(19)16(2)3)9-14(13)18(20)21/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m1/s1
InChIKeyCUAPPNWYNHJISZ-LLVKDONJSA-N
XLogP2.53
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
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

4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7831848
N-methyl-4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-3-nitrobenzamide
CID 16962507
N'-methyl-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N'-phenylbenzohydrazide
CID 52535971
4-(3-aminoazetidin-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82992525
(4-methylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate
CID 7901062
4-(3-methylpiperidin-1-yl)-3-nitro-N-pentan-2-ylbenzamide
CID 24624939
4-(4-methylazepan-1-yl)-3-nitrobenzoic acid
CID 63624097
N-(2-methylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7892873
N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55594956
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate
CID 9483769
N-(3,5-dimethoxyphenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7922620
(2-oxo-2-piperidin-1-ylethyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate
CID 7376617

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide?
The IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide (CID 25347780) is N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide?
The canonical SMILES for N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide is C[C@@H]1CCCN(c2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])C1.
What is the InChIKey of N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide?
The InChIKey is CUAPPNWYNHJISZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-5-4-8-17(10-11)13-7-6-12(15(19)16(2)3)9-14(13)18(20)21/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide?
N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide is sourced from PubChem (CID 25347780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).