4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide

C17H30N4O2 — CID 145398830

IUPAC4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide
SMILESC=C(CC(C)NC)NC(=O)C1CC(CNC(=O)C2CC2)CCN1
InChIInChI=1S/C17H30N4O2/c1-11(18-3)8-12(2)21-17(23)15-9-13(6-7-19-15)10-20-16(22)14-4-5-14/h11,13-15,18-19H,2,4-10H2,1,3H3,(H,20,22)(H,21,23)
InChIKeyDIVQEZHUXLHXJL-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.51
Rot. Bonds8

About 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide

4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide (PubChem CID 145398830) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide
PubChem CID145398830
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide
SMILESC=C(CC(C)NC)NC(=O)C1CC(CNC(=O)C2CC2)CCN1
InChIInChI=1S/C17H30N4O2/c1-11(18-3)8-12(2)21-17(23)15-9-13(6-7-19-15)10-20-16(22)14-4-5-14/h11,13-15,18-19H,2,4-10H2,1,3H3,(H,20,22)(H,21,23)
InChIKeyDIVQEZHUXLHXJL-UHFFFAOYSA-N
XLogP0.51
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide?
The IUPAC name of 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide (CID 145398830) is 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide is C=C(CC(C)NC)NC(=O)C1CC(CNC(=O)C2CC2)CCN1.
What is the InChIKey of 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide?
The InChIKey is DIVQEZHUXLHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(18-3)8-12(2)21-17(23)15-9-13(6-7-19-15)10-20-16(22)14-4-5-14/h11,13-15,18-19H,2,4-10H2,1,3H3,(H,20,22)(H,21,23).
What are the key properties of 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide?
4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropanecarbonylamino)methyl]-N-[4-(methylamino)pent-1-en-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 145398830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).