N-hexyl-4-propan-2-ylpiperazine-1-carboxamide

C14H29N3O — CID 21325927

IUPACN-hexyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-8-15-14(18)17-11-9-16(10-12-17)13(2)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyASOFPXHLDAWNKT-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.30
Rot. Bonds6

About N-hexyl-4-propan-2-ylpiperazine-1-carboxamide

N-hexyl-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 21325927) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-hexyl-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID21325927
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-hexyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-8-15-14(18)17-11-9-16(10-12-17)13(2)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyASOFPXHLDAWNKT-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-hexyl-4-propan-2-ylpiperazine-1-carboxamide (CID 21325927) is N-hexyl-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-hexyl-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-hexyl-4-propan-2-ylpiperazine-1-carboxamide is CCCCCCNC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-hexyl-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is ASOFPXHLDAWNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-6-7-8-15-14(18)17-11-9-16(10-12-17)13(2)3/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-hexyl-4-propan-2-ylpiperazine-1-carboxamide?
N-hexyl-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 21325927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).