cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone

C20H32N6O — CID 56804519

IUPACcyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCCC1C1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C20H32N6O/c27-20(16-5-6-16)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-21-22-23-26(19)17-7-8-17/h15-18H,1-14H2
InChIKeyZRHXBNCBSBDQLW-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.40
Rot. Bonds5

About cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone

cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (PubChem CID 56804519) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
PubChem CID56804519
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Namecyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCCC1C1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C20H32N6O/c27-20(16-5-6-16)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-21-22-23-26(19)17-7-8-17/h15-18H,1-14H2
InChIKeyZRHXBNCBSBDQLW-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95326568
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327970
phenyl-[(2S)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95332947
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63312298
(4aR,8aS)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 94083773
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
2-methoxy-1-[2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 56804516
(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
CID 95348571
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (CID 56804519) is cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is O=C(C1CC1)N1CCCCCC1C1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The InChIKey is ZRHXBNCBSBDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c27-20(16-5-6-16)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-21-22-23-26(19)17-7-8-17/h15-18H,1-14H2.
What are the key properties of cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone has a molecular weight of 372.52 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is sourced from PubChem (CID 56804519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).