N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide

C19H30N4O2 — CID 111508241

IUPACN-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)c1ccc(N2CCC(NC(=O)N3CCCC(O)C3)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-21(2)16-5-7-17(8-6-16)22-12-9-15(10-13-22)20-19(25)23-11-3-4-18(24)14-23/h5-8,15,18,24H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyUGAZJRHAMXAMRR-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.89
Rot. Bonds3

About N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide

N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 111508241) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID111508241
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)c1ccc(N2CCC(NC(=O)N3CCCC(O)C3)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-21(2)16-5-7-17(8-6-16)22-12-9-15(10-13-22)20-19(25)23-11-3-4-18(24)14-23/h5-8,15,18,24H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyUGAZJRHAMXAMRR-UHFFFAOYSA-N
XLogP1.89
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
CID 95597540
[4-[4-(cyclohexylamino)piperidin-1-yl]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118755342
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
1-[4-(dimethylamino)phenyl]-N-ethylpiperidin-4-amine
CID 43617126
N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
CID 62916085
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
3-hydroxy-N-(3-methylcyclohexyl)piperidine-1-carboxamide
CID 110896538
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide (CID 111508241) is N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide is CN(C)c1ccc(N2CCC(NC(=O)N3CCCC(O)C3)CC2)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is UGAZJRHAMXAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21(2)16-5-7-17(8-6-16)22-12-9-15(10-13-22)20-19(25)23-11-3-4-18(24)14-23/h5-8,15,18,24H,3-4,9-14H2,1-2H3,(H,20,25).
What are the key properties of N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide?
N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111508241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).