(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide

C16H30N4O2 — CID 95759967

IUPAC(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide
SMILESC=CCN1CCC(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-6-9-20-10-7-13(8-11-20)18-15(22)17-12(2)14(21)19-16(3,4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,21)(H2,17,18,22)/t12-/m1/s1
InChIKeyKPQVEFJAHVMXNC-GFCCVEGCSA-N
MW310.44 g/mol
LogP1.24
Rot. Bonds5

About (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide

(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide (PubChem CID 95759967) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide
PubChem CID95759967
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide
SMILESC=CCN1CCC(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-6-9-20-10-7-13(8-11-20)18-15(22)17-12(2)14(21)19-16(3,4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,21)(H2,17,18,22)/t12-/m1/s1
InChIKeyKPQVEFJAHVMXNC-GFCCVEGCSA-N
XLogP1.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111106538
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111121232
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128373
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
CID 120800093
N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine
CID 115616300
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 112703978

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide (CID 95759967) is (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide is C=CCN1CCC(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide?
The InChIKey is KPQVEFJAHVMXNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-6-9-20-10-7-13(8-11-20)18-15(22)17-12(2)14(21)19-16(3,4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,21)(H2,17,18,22)/t12-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide?
(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide has a molecular weight of 310.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide is sourced from PubChem (CID 95759967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).