[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone

C21H25ClN2O2 — CID 166338820

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone
SMILESO=C(c1cc(CC2CCC2)c[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-4-6-18(7-5-17)26-19-8-10-24(11-9-19)21(25)20-13-16(14-23-20)12-15-2-1-3-15/h4-7,13-15,19,23H,1-3,8-12H2
InChIKeyACQKQXGQRDXKOO-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.69
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone (PubChem CID 166338820) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone
PubChem CID166338820
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone
SMILESO=C(c1cc(CC2CCC2)c[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-4-6-18(7-5-17)26-19-8-10-24(11-9-19)21(25)20-13-16(14-23-20)12-15-2-1-3-15/h4-7,13-15,19,23H,1-3,8-12H2
InChIKeyACQKQXGQRDXKOO-UHFFFAOYSA-N
XLogP4.69
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone with MolForge

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Related Compounds

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
CID 166281549
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 166328912
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone (CID 166338820) is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone is O=C(c1cc(CC2CCC2)c[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone?
The InChIKey is ACQKQXGQRDXKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-17-4-6-18(7-5-17)26-19-8-10-24(11-9-19)21(25)20-13-16(14-23-20)12-15-2-1-3-15/h4-7,13-15,19,23H,1-3,8-12H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(cyclobutylmethyl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 166338820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).