4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide

C20H31N3O2 — CID 119844595

IUPAC4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-18-8-15-23(16-9-18)14-7-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3,(H,22,24)
InChIKeyBHOGKKRMVIDZTD-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.58
Rot. Bonds6

About 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide

4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 119844595) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID119844595
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-18-8-15-23(16-9-18)14-7-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3,(H,22,24)
InChIKeyBHOGKKRMVIDZTD-UHFFFAOYSA-N
XLogP1.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119897156
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119860967
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
N-(4-hydroxycyclohexyl)-4-methoxypiperidine-4-carboxamide
CID 114284541
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide (CID 119844595) is 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide is COC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BHOGKKRMVIDZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-18-8-15-23(16-9-18)14-7-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3,(H,22,24).
What are the key properties of 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide?
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119844595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).