1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide

C19H26N6O — CID 3208726

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H26N6O/c20-18(26)15-10-12-24(13-11-15)17(14-6-2-1-3-7-14)19-21-22-23-25(19)16-8-4-5-9-16/h1-3,6-7,15-17H,4-5,8-13H2,(H2,20,26)
InChIKeyRNIASRUMZWVDCT-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.07
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide

1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 3208726) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID3208726
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H26N6O/c20-18(26)15-10-12-24(13-11-15)17(14-6-2-1-3-7-14)19-21-22-23-25(19)16-8-4-5-9-16/h1-3,6-7,15-17H,4-5,8-13H2,(H2,20,26)
InChIKeyRNIASRUMZWVDCT-UHFFFAOYSA-N
XLogP2.07
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (CID 3208726) is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is RNIASRUMZWVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-18(26)15-10-12-24(13-11-15)17(14-6-2-1-3-7-14)19-21-22-23-25(19)16-8-4-5-9-16/h1-3,6-7,15-17H,4-5,8-13H2,(H2,20,26).
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3208726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).