(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone

C17H25ClN2O2 — CID 97232471

IUPAC(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
SMILESCC[C@H](COC)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-3-15(12-22-2)19-16-8-10-20(11-9-16)17(21)13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-/m1/s1
InChIKeyDPNGXVOWMDOPEA-OAHLLOKOSA-N
MW324.85 g/mol
LogP2.96
Rot. Bonds6

About (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 97232471) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
PubChem CID97232471
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
SMILESCC[C@H](COC)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-3-15(12-22-2)19-16-8-10-20(11-9-16)17(21)13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-/m1/s1
InChIKeyDPNGXVOWMDOPEA-OAHLLOKOSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
CID 154793754
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone (CID 97232471) is (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone is CC[C@H](COC)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is DPNGXVOWMDOPEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-15(12-22-2)19-16-8-10-20(11-9-16)17(21)13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 324.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 97232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).