N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide

C18H27N3O2 — CID 119895713

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)C1CCNC1
InChIInChI=1S/C18H27N3O2/c22-17-6-9-21(10-7-17)13-16-4-2-1-3-14(16)12-20-18(23)15-5-8-19-11-15/h1-4,15,17,19,22H,5-13H2,(H,20,23)
InChIKeyKDAFLAVZEBTUGY-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.87
Rot. Bonds5

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119895713) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119895713
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)C1CCNC1
InChIInChI=1S/C18H27N3O2/c22-17-6-9-21(10-7-17)13-16-4-2-1-3-14(16)12-20-18(23)15-5-8-19-11-15/h1-4,15,17,19,22H,5-13H2,(H,20,23)
InChIKeyKDAFLAVZEBTUGY-UHFFFAOYSA-N
XLogP0.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124704452
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide (CID 119895713) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1CN1CCC(O)CC1)C1CCNC1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KDAFLAVZEBTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17-6-9-21(10-7-17)13-16-4-2-1-3-14(16)12-20-18(23)15-5-8-19-11-15/h1-4,15,17,19,22H,5-13H2,(H,20,23).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119895713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).