1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide

C20H29N3O2 — CID 45019892

IUPAC1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-4-2-3-5-18(15)14-22-10-6-17(7-11-22)20(25)23-12-8-16(9-13-23)19(21)24/h2-5,16-17H,6-14H2,1H3,(H2,21,24)
InChIKeyOZJMSZIIFMWYSQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 45019892) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID45019892
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-4-2-3-5-18(15)14-22-10-6-17(7-11-22)20(25)23-12-8-16(9-13-23)19(21)24/h2-5,16-17H,6-14H2,1H3,(H2,21,24)
InChIKeyOZJMSZIIFMWYSQ-UHFFFAOYSA-N
XLogP1.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
4-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25294488
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27840452
1-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepan-5-one
CID 42376674
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 45019892) is 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is OZJMSZIIFMWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-4-2-3-5-18(15)14-22-10-6-17(7-11-22)20(25)23-12-8-16(9-13-23)19(21)24/h2-5,16-17H,6-14H2,1H3,(H2,21,24).
What are the key properties of 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).