(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide

C18H26N4O3 — CID 100851158

IUPAC(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C18H26N4O3/c1-14(18(23)19-15-6-8-16(9-7-15)22(24)25)21-12-4-5-17(13-21)20-10-2-3-11-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,23)/t14-,17-/m1/s1
InChIKeyBNGJYDRTTUONDI-RHSMWYFYSA-N
MW346.43 g/mol
LogP2.48
Rot. Bonds5

About (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide

(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide (PubChem CID 100851158) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
PubChem CID100851158
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C18H26N4O3/c1-14(18(23)19-15-6-8-16(9-7-15)22(24)25)21-12-4-5-17(13-21)20-10-2-3-11-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,23)/t14-,17-/m1/s1
InChIKeyBNGJYDRTTUONDI-RHSMWYFYSA-N
XLogP2.48
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
CID 100851157
(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
CID 7431081
(2S)-2-[4-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 26008277
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
CID 18284057
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
(2S)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide
CID 95334760
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 25445582
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide (CID 100851158) is (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide?
The InChIKey is BNGJYDRTTUONDI-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(18(23)19-15-6-8-16(9-7-15)22(24)25)21-12-4-5-17(13-21)20-10-2-3-11-20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,23)/t14-,17-/m1/s1.
What are the key properties of (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide?
(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide is sourced from PubChem (CID 100851158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).