[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone

C23H28N6O2 — CID 1442957

IUPAC[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C23H28N6O2/c30-23(20-12-7-17-31-20)28-15-13-27(14-16-28)21(18-8-3-1-4-9-18)22-24-25-26-29(22)19-10-5-2-6-11-19/h1,3-4,7-9,12,17,19,21H,2,5-6,10-11,13-16H2/t21-/m1/s1
InChIKeyKRXNDFRJEBEHQJ-OAQYLSRUSA-N
MW420.52 g/mol
LogP3.32
Rot. Bonds5

About [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1442957) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1442957
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C23H28N6O2/c30-23(20-12-7-17-31-20)28-15-13-27(14-16-28)21(18-8-3-1-4-9-18)22-24-25-26-29(22)19-10-5-2-6-11-19/h1,3-4,7-9,12,17,19,21H,2,5-6,10-11,13-16H2/t21-/m1/s1
InChIKeyKRXNDFRJEBEHQJ-OAQYLSRUSA-N
XLogP3.32
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
CID 53313729
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156838
3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 655580
6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 3192149
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 1431099
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
3-[(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3176634
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148203
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 1442957) is [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KRXNDFRJEBEHQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N6O2/c30-23(20-12-7-17-31-20)28-15-13-27(14-16-28)21(18-8-3-1-4-9-18)22-24-25-26-29(22)19-10-5-2-6-11-19/h1,3-4,7-9,12,17,19,21H,2,5-6,10-11,13-16H2/t21-/m1/s1.
What are the key properties of [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 420.52 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1442957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).