3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide

C19H30N4O — CID 154775986

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
SMILESC#CCCC1(CCC(=O)NC(C)C2CCCN(C3CCC3)C2)N=N1
InChIInChI=1S/C19H30N4O/c1-3-4-11-19(21-22-19)12-10-18(24)20-15(2)16-7-6-13-23(14-16)17-8-5-9-17/h1,15-17H,4-14H2,2H3,(H,20,24)
InChIKeyKGHOUBYKSCVWRG-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.11
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide (PubChem CID 154775986) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
PubChem CID154775986
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
SMILESC#CCCC1(CCC(=O)NC(C)C2CCCN(C3CCC3)C2)N=N1
InChIInChI=1S/C19H30N4O/c1-3-4-11-19(21-22-19)12-10-18(24)20-15(2)16-7-6-13-23(14-16)17-8-5-9-17/h1,15-17H,4-14H2,2H3,(H,20,24)
InChIKeyKGHOUBYKSCVWRG-UHFFFAOYSA-N
XLogP3.11
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 154783461
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110028426
trans-(1R,3R)-3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 136589159
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392
3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]propanamide
CID 166418078
3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide
CID 146152941
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-methylsulfonylazetidin-3-yl)methyl]propanamide
CID 154786265
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 97348085
3-(3-but-3-ynyldiazirin-3-yl)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]propan-1-one
CID 167822589
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]propanamide
CID 97262415
3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propanamide
CID 166428977

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide (CID 154775986) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide is C#CCCC1(CCC(=O)NC(C)C2CCCN(C3CCC3)C2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide?
The InChIKey is KGHOUBYKSCVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-4-11-19(21-22-19)12-10-18(24)20-15(2)16-7-6-13-23(14-16)17-8-5-9-17/h1,15-17H,4-14H2,2H3,(H,20,24).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide has a molecular weight of 330.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 154775986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).