N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C16H27N5O — CID 91828484

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCC2(Cn3ccnc3)CC2)CC1
InChIInChI=1S/C16H27N5O/c1-19-6-2-7-20(10-9-19)11-15(22)18-12-16(3-4-16)13-21-8-5-17-14-21/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,22)
InChIKeyFDEYAUMQVBLHBH-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.42
Rot. Bonds6

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 91828484) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID91828484
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCC2(Cn3ccnc3)CC2)CC1
InChIInChI=1S/C16H27N5O/c1-19-6-2-7-20(10-9-19)11-15(22)18-12-16(3-4-16)13-21-8-5-17-14-21/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,22)
InChIKeyFDEYAUMQVBLHBH-UHFFFAOYSA-N
XLogP0.42
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride
CID 154887899
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 122572315
(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 95046843
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine
CID 138623326
N-(2-tert-butylsulfanylethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50956247
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 50969531
2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide
CID 138387553
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688
2-[4-(3-imidazol-1-ylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62822851

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 91828484) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)NCC2(Cn3ccnc3)CC2)CC1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is FDEYAUMQVBLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19-6-2-7-20(10-9-19)11-15(22)18-12-16(3-4-16)13-21-8-5-17-14-21/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,22).
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 91828484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).