1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one

C16H28N6O — CID 56878865

IUPAC1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)CCn2cnnn2)CCCN1CC1CC1
InChIInChI=1S/C16H28N6O/c1-13(2)15-11-21(8-3-7-20(15)10-14-4-5-14)16(23)6-9-22-12-17-18-19-22/h12-15H,3-11H2,1-2H3
InChIKeyCBRVVOWEOOKTNY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.03
Rot. Bonds6

About 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 56878865) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID56878865
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)CCn2cnnn2)CCCN1CC1CC1
InChIInChI=1S/C16H28N6O/c1-13(2)15-11-21(8-3-7-20(15)10-14-4-5-14)16(23)6-9-22-12-17-18-19-22/h12-15H,3-11H2,1-2H3
InChIKeyCBRVVOWEOOKTNY-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95555175
3-[3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 95561244
1-[3-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 95550951
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95554976
1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 91921534
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95550385
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 95715450
[1-(2-aminoethyl)triazol-4-yl]-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 56879098
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(2-hydroxyphenyl)methanone
CID 95556824
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
1-[(4aR,7aS)-1-(cyclopropylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70704976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 56878865) is 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one is CC(C)C1CN(C(=O)CCn2cnnn2)CCCN1CC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is CBRVVOWEOOKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-13(2)15-11-21(8-3-7-20(15)10-14-4-5-14)16(23)6-9-22-12-17-18-19-22/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 56878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).