3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one

C17H32N2O2 — CID 75436334

IUPAC3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(NCC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14-3-5-15(6-4-14)13-18-16-7-10-19(11-8-16)17(20)9-12-21-2/h14-16,18H,3-13H2,1-2H3
InChIKeyHKCKRADDLQXBHX-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds6

About 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 75436334) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID75436334
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(NCC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14-3-5-15(6-4-14)13-18-16-7-10-19(11-8-16)17(20)9-12-21-2/h14-16,18H,3-13H2,1-2H3
InChIKeyHKCKRADDLQXBHX-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
CID 103209701
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023
1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-3-methoxypropan-1-one
CID 98233747
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
CID 107411452
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 119623917
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one (CID 75436334) is 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(NCC2CCC(C)CC2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is HKCKRADDLQXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14-3-5-15(6-4-14)13-18-16-7-10-19(11-8-16)17(20)9-12-21-2/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75436334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).