N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide

C23H27ClN2O3 — CID 131893172

IUPACN-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-16(27)25-19-8-9-20(21(24)15-19)23(29)26-13-11-18(12-14-26)22(28)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18,22,28H,7,10-14H2,1H3,(H,25,27)
InChIKeyIIUTYQSLBNMHCI-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.14
Rot. Bonds6

About N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide

N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 131893172) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID131893172
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-16(27)25-19-8-9-20(21(24)15-19)23(29)26-13-11-18(12-14-26)22(28)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18,22,28H,7,10-14H2,1H3,(H,25,27)
InChIKeyIIUTYQSLBNMHCI-UHFFFAOYSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131941564
3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid
CID 154846415
5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
N-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-3-chlorophenyl]-4-hexylbenzamide
CID 58708035
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide (CID 131893172) is N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is IIUTYQSLBNMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16(27)25-19-8-9-20(21(24)15-19)23(29)26-13-11-18(12-14-26)22(28)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18,22,28H,7,10-14H2,1H3,(H,25,27).
What are the key properties of N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide?
N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 131893172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).