N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide

C16H27N3O — CID 43237174

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c20-16(13-18-11-4-9-17-10-12-18)19(15-7-8-15)14-5-2-1-3-6-14/h5,15,17H,1-4,6-13H2
InChIKeyPJETXRCDXOGYKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.73
Rot. Bonds4

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 43237174) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
PubChem CID43237174
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c20-16(13-18-11-4-9-17-10-12-18)19(15-7-8-15)14-5-2-1-3-6-14/h5,15,17H,1-4,6-13H2
InChIKeyPJETXRCDXOGYKS-UHFFFAOYSA-N
XLogP1.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63874630
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95311357
ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 51110425
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 115313060
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 61370838
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide (CID 43237174) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide is O=C(CN1CCCNCC1)N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is PJETXRCDXOGYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c20-16(13-18-11-4-9-17-10-12-18)19(15-7-8-15)14-5-2-1-3-6-14/h5,15,17H,1-4,6-13H2.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43237174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).