cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone

C19H26N2O — CID 71927484

IUPACcyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC2)CCC1NCC=Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-15-14-21(19(22)17-9-10-17)13-11-18(15)20-12-5-8-16-6-3-2-4-7-16/h2-8,15,17-18,20H,9-14H2,1H3
InChIKeyQOSKTQWCWJTWFG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.94
Rot. Bonds5

About cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone

cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone (PubChem CID 71927484) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
PubChem CID71927484
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Namecyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC2)CCC1NCC=Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-15-14-21(19(22)17-9-10-17)13-11-18(15)20-12-5-8-16-6-3-2-4-7-16/h2-8,15,17-18,20H,9-14H2,1H3
InChIKeyQOSKTQWCWJTWFG-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
(3R,4S)-3-methyl-1-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 95780734
(3R,4S)-3-methyl-N-[(Z)-3-phenylprop-2-enyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 97359461
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513555
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528
2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
CID 77050165
N-[(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-3-ethylpiperidin-4-yl]-3-phenylprop-2-enamide
CID 171321956
cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 96513611
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone (CID 71927484) is cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone is CC1CN(C(=O)C2CC2)CCC1NCC=Cc1ccccc1.
What is the InChIKey of cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone?
The InChIKey is QOSKTQWCWJTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15-14-21(19(22)17-9-10-17)13-11-18(15)20-12-5-8-16-6-3-2-4-7-16/h2-8,15,17-18,20H,9-14H2,1H3.
What are the key properties of cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone?
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone has a molecular weight of 298.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71927484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).