N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide

C19H29N3O2 — CID 126459311

IUPACN-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-24-18-8-4-3-7-17(18)20-19(23)22-13-9-16(10-14-22)15-21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,20,23)
InChIKeyDCLFEXVQKMFRDU-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.42
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide

N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 126459311) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID126459311
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-24-18-8-4-3-7-17(18)20-19(23)22-13-9-16(10-14-22)15-21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,20,23)
InChIKeyDCLFEXVQKMFRDU-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
(3S)-3-(piperidin-1-ylmethyl)-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 99826625
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568974
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide (CID 126459311) is N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DCLFEXVQKMFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-8-4-3-7-17(18)20-19(23)22-13-9-16(10-14-22)15-21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide?
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126459311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).