[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride

C22H26ClN6O2- — CID 53313729

IUPAC[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
SMILESO=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.[Cl-]
InChIInChI=1S/C22H26N6O2.ClH/c29-22(19-11-6-16-30-19)27-14-12-26(13-15-27)20(17-7-2-1-3-8-17)21-23-24-25-28(21)18-9-4-5-10-18;/h1-3,6-8,11,16,18,20H,4-5,9-10,12-15H2;1H/p-1
InChIKeyDWHURFDDTAMYSC-UHFFFAOYSA-M
MW441.94 g/mol
LogP-0.07
Rot. Bonds5

About [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride

[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride (PubChem CID 53313729) has the molecular formula C22H26ClN6O2- and a molecular weight of 441.94 g/mol. Its IUPAC name is [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride.

Molecular Properties

Compound Name[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
PubChem CID53313729
Molecular FormulaC22H26ClN6O2-
Molecular Weight441.94 g/mol
Exact Mass441.18
IUPAC Name[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
SMILESO=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.[Cl-]
InChIInChI=1S/C22H26N6O2.ClH/c29-22(19-11-6-16-30-19)27-14-12-26(13-15-27)20(17-7-2-1-3-8-17)21-23-24-25-28(21)18-9-4-5-10-18;/h1-3,6-8,11,16,18,20H,4-5,9-10,12-15H2;1H/p-1
InChIKeyDWHURFDDTAMYSC-UHFFFAOYSA-M
XLogP-0.07
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1442957
6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 3192149
3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 655580
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 1431099
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156838
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
3-[(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3176634
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176
[4-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704

Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride?
The IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride (CID 53313729) is [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride.
What is the SMILES notation for [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride?
The canonical SMILES for [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride is O=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.[Cl-].
What is the InChIKey of [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride?
The InChIKey is DWHURFDDTAMYSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26N6O2.ClH/c29-22(19-11-6-16-30-19)27-14-12-26(13-15-27)20(17-7-2-1-3-8-17)21-23-24-25-28(21)18-9-4-5-10-18;/h1-3,6-8,11,16,18,20H,4-5,9-10,12-15H2;1H/p-1.
What are the key properties of [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride?
[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride has a molecular weight of 441.94 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride is sourced from PubChem (CID 53313729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).