N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C23H26N2O3 — CID 46404128

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC3CCOc4ccccc43)C2)cc1
InChIInChI=1S/C23H26N2O3/c1-16-8-10-17(11-9-16)23(27)25-13-4-5-18(15-25)22(26)24-20-12-14-28-21-7-3-2-6-19(20)21/h2-3,6-11,18,20H,4-5,12-15H2,1H3,(H,24,26)
InChIKeyCERVBQWSYIBUQJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.49
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46404128) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46404128
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC3CCOc4ccccc43)C2)cc1
InChIInChI=1S/C23H26N2O3/c1-16-8-10-17(11-9-16)23(27)25-13-4-5-18(15-25)22(26)24-20-12-14-28-21-7-3-2-6-19(20)21/h2-3,6-11,18,20H,4-5,12-15H2,1H3,(H,24,26)
InChIKeyCERVBQWSYIBUQJ-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 100867602
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-3-carboxamide
CID 55622704
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622639
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46404128) is N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NC3CCOc4ccccc43)C2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is CERVBQWSYIBUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-8-10-17(11-9-16)23(27)25-13-4-5-18(15-25)22(26)24-20-12-14-28-21-7-3-2-6-19(20)21/h2-3,6-11,18,20H,4-5,12-15H2,1H3,(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46404128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).