N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide

C19H31N3O — CID 97190017

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-21(2)18-9-6-16(7-10-18)12-13-20-19(23)11-8-17-5-4-14-22(3)15-17/h6-7,9-10,17H,4-5,8,11-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyVLYVQYBQZGDJGW-QGZVFWFLSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide (PubChem CID 97190017) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
PubChem CID97190017
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H](CCC(=O)NCCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-21(2)18-9-6-16(7-10-18)12-13-20-19(23)11-8-17-5-4-14-22(3)15-17/h6-7,9-10,17H,4-5,8,11-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyVLYVQYBQZGDJGW-QGZVFWFLSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 97203525
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
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N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide (CID 97190017) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide is CN1CCC[C@H](CCC(=O)NCCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is VLYVQYBQZGDJGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O/c1-21(2)18-9-6-16(7-10-18)12-13-20-19(23)11-8-17-5-4-14-22(3)15-17/h6-7,9-10,17H,4-5,8,11-15H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 317.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 97190017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).