N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide

C18H29N3O2 — CID 110009397

IUPACN-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(2)12-9-19-18(23)17-7-10-21(11-8-17)13-15-3-5-16(14-22)6-4-15/h3-6,17,22H,7-14H2,1-2H3,(H,19,23)
InChIKeyYGQLYKZDHDTBOV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 110009397) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID110009397
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(2)12-9-19-18(23)17-7-10-21(11-8-17)13-15-3-5-16(14-22)6-4-15/h3-6,17,22H,7-14H2,1-2H3,(H,19,23)
InChIKeyYGQLYKZDHDTBOV-UHFFFAOYSA-N
XLogP1.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 110913208
[4-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methyl]phenyl]methanol
CID 110009724
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 110009397) is N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YGQLYKZDHDTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(2)12-9-19-18(23)17-7-10-21(11-8-17)13-15-3-5-16(14-22)6-4-15/h3-6,17,22H,7-14H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110009397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).