N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide

C20H28N6O2 — CID 47042911

IUPACN-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C20H28N6O2/c1-2-3-9-19(27)22-17-10-12-25(13-11-17)20(28)18(26-15-21-23-24-26)14-16-7-5-4-6-8-16/h4-8,15,17-18H,2-3,9-14H2,1H3,(H,22,27)
InChIKeyCBHUDSUFGDQNBB-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.75
Rot. Bonds8

About N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide

N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide (PubChem CID 47042911) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
PubChem CID47042911
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C20H28N6O2/c1-2-3-9-19(27)22-17-10-12-25(13-11-17)20(28)18(26-15-21-23-24-26)14-16-7-5-4-6-8-16/h4-8,15,17-18H,2-3,9-14H2,1H3,(H,22,27)
InChIKeyCBHUDSUFGDQNBB-UHFFFAOYSA-N
XLogP1.75
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8510170
(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
CID 108556080
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 47036220
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
CID 126454160

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide (CID 47042911) is N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)n2cnnn2)CC1.
What is the InChIKey of N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide?
The InChIKey is CBHUDSUFGDQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-2-3-9-19(27)22-17-10-12-25(13-11-17)20(28)18(26-15-21-23-24-26)14-16-7-5-4-6-8-16/h4-8,15,17-18H,2-3,9-14H2,1H3,(H,22,27).
What are the key properties of N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide?
N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide has a molecular weight of 384.48 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 47042911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).