N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide

C23H27N3O2 — CID 42848271

IUPACN-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H27N3O2/c1-17(27)24-20-11-14-25(15-12-20)22-9-5-4-8-21(22)23(28)26-13-10-18-6-2-3-7-19(18)16-26/h2-9,20H,10-16H2,1H3,(H,24,27)
InChIKeyWVWFEYCCVAOWLV-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.99
Rot. Bonds3

About N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide

N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 42848271) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide
PubChem CID42848271
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H27N3O2/c1-17(27)24-20-11-14-25(15-12-20)22-9-5-4-8-21(22)23(28)26-13-10-18-6-2-3-7-19(18)16-26/h2-9,20H,10-16H2,1H3,(H,24,27)
InChIKeyWVWFEYCCVAOWLV-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-2-phenylbutanamide
CID 93291110
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 93291094
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(oxan-4-ylamino)piperidin-1-yl]phenyl]methanone
CID 26357699
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 46038077

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide (CID 42848271) is N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccccc2C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is WVWFEYCCVAOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(27)24-20-11-14-25(15-12-20)22-9-5-4-8-21(22)23(28)26-13-10-18-6-2-3-7-19(18)16-26/h2-9,20H,10-16H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide?
N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 42848271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).