N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide

C22H27ClN4O3 — CID 45251739

IUPACN-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-30-19-9-8-15(12-17(19)23)24-20(28)10-7-14-4-3-11-27(13-14)22(29)21-16-5-2-6-18(16)25-26-21/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyPIJQHRVVZZTHBD-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.83
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45251739) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID45251739
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-30-19-9-8-15(12-17(19)23)24-20(28)10-7-14-4-3-11-27(13-14)22(29)21-16-5-2-6-18(16)25-26-21/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyPIJQHRVVZZTHBD-UHFFFAOYSA-N
XLogP3.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3S)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-3-yl]propanamide
CID 42155890
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 26322215
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25284111
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
N-(3-chloro-4-methoxyphenyl)-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45235853
N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127
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-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide (CID 45251739) is N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CCC2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is PIJQHRVVZZTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-30-19-9-8-15(12-17(19)23)24-20(28)10-7-14-4-3-11-27(13-14)22(29)21-16-5-2-6-18(16)25-26-21/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 430.94 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).