1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H24FN7O — CID 78082525

IUPAC1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(C2NNCC2c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,12,14,16,18,20,22H,1-2,7-11H2
InChIKeyYSGJKJZOZKDTJM-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.70
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 78082525) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID78082525
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC Name1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(C2NNCC2c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,12,14,16,18,20,22H,1-2,7-11H2
InChIKeyYSGJKJZOZKDTJM-UHFFFAOYSA-N
XLogP0.70
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70756873
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70711037
1-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110108671
1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 97117065
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 45211610
1-[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72916792
1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 56878865
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45193328
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 46960801

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 78082525) is 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCCC(C2NNCC2c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is YSGJKJZOZKDTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,12,14,16,18,20,22H,1-2,7-11H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 373.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 78082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).