N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide

C16H27N5O2 — CID 67208085

IUPACN-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide
SMILESC=C/N=C(\C=C)N1CCC(NC(=O)NCCCNC(C)=O)CC1
InChIInChI=1S/C16H27N5O2/c1-4-15(17-5-2)21-11-7-14(8-12-21)20-16(23)19-10-6-9-18-13(3)22/h4-5,14H,1-2,6-12H2,3H3,(H,18,22)(H2,19,20,23)/b17-15+
InChIKeyKJHSBVWPMSKBPZ-BMRADRMJSA-N
MW321.43 g/mol
LogP1.00
Rot. Bonds7

About N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide

N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide (PubChem CID 67208085) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide
PubChem CID67208085
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide
SMILESC=C/N=C(\C=C)N1CCC(NC(=O)NCCCNC(C)=O)CC1
InChIInChI=1S/C16H27N5O2/c1-4-15(17-5-2)21-11-7-14(8-12-21)20-16(23)19-10-6-9-18-13(3)22/h4-5,14H,1-2,6-12H2,3H3,(H,18,22)(H2,19,20,23)/b17-15+
InChIKeyKJHSBVWPMSKBPZ-BMRADRMJSA-N
XLogP1.00
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide?
The IUPAC name of N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide (CID 67208085) is N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide?
The canonical SMILES for N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide is C=C/N=C(\C=C)N1CCC(NC(=O)NCCCNC(C)=O)CC1.
What is the InChIKey of N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide?
The InChIKey is KJHSBVWPMSKBPZ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-4-15(17-5-2)21-11-7-14(8-12-21)20-16(23)19-10-6-9-18-13(3)22/h4-5,14H,1-2,6-12H2,3H3,(H,18,22)(H2,19,20,23)/b17-15+.
What are the key properties of N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide?
N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[C,N-bis(ethenyl)carbonimidoyl]piperidin-4-yl]carbamoylamino]propyl]acetamide is sourced from PubChem (CID 67208085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).