[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone

C18H26N2O — CID 115307122

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H26N2O/c1-2-15-5-3-4-6-17(15)18(21)20-11-9-16(10-12-20)19-13-14-7-8-14/h3-6,14,16,19H,2,7-13H2,1H3
InChIKeyZOLMJLUQPBSBTD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.85
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone (PubChem CID 115307122) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
PubChem CID115307122
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H26N2O/c1-2-15-5-3-4-6-17(15)18(21)20-11-9-16(10-12-20)19-13-14-7-8-14/h3-6,14,16,19H,2,7-13H2,1H3
InChIKeyZOLMJLUQPBSBTD-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide
CID 119622094
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone (CID 115307122) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone?
The InChIKey is ZOLMJLUQPBSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-15-5-3-4-6-17(15)18(21)20-11-9-16(10-12-20)19-13-14-7-8-14/h3-6,14,16,19H,2,7-13H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone is sourced from PubChem (CID 115307122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).