N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide

C23H28ClN3O3 — CID 42533041

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C23H28ClN3O3/c1-30-21-9-8-19(14-20(21)24)26-22(28)10-6-18-5-3-13-27(16-18)23(29)11-7-17-4-2-12-25-15-17/h2,4,8-9,12,14-15,18H,3,5-7,10-11,13,16H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyWQVGTXQBRXXRIQ-GOSISDBHSA-N
MW429.95 g/mol
LogP4.33
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide (PubChem CID 42533041) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
PubChem CID42533041
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C23H28ClN3O3/c1-30-21-9-8-19(14-20(21)24)26-22(28)10-6-18-5-3-13-27(16-18)23(29)11-7-17-4-2-12-25-15-17/h2,4,8-9,12,14-15,18H,3,5-7,10-11,13,16H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyWQVGTXQBRXXRIQ-GOSISDBHSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45235853
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25284111
N-(3-chloro-4-methoxyphenyl)-3-[(3S)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-3-yl]propanamide
CID 42155890
3-[(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283405
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407
N-(3-chloro-4-methoxyphenyl)-3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45192904
N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45243370
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 26322215
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide (CID 42533041) is N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide?
The InChIKey is WQVGTXQBRXXRIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-30-21-9-8-19(14-20(21)24)26-22(28)10-6-18-5-3-13-27(16-18)23(29)11-7-17-4-2-12-25-15-17/h2,4,8-9,12,14-15,18H,3,5-7,10-11,13,16H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide has a molecular weight of 429.95 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42533041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).