N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide

C14H29N3O — CID 113104066

IUPACN-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-16-8-10-17(11-9-16)14(18)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyGHZZDDINTCXUBX-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds6

About N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide

N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 113104066) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
PubChem CID113104066
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-7-16-8-10-17(11-9-16)14(18)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyGHZZDDINTCXUBX-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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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Related Compounds

N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62670111
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
4-octylpiperazine-1-carboxylic acid
CID 22047855
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
N-butylaziridine-1-carboxamide
CID 55206947

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide (CID 113104066) is N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)NCC(C)C)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is GHZZDDINTCXUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-6-7-16-8-10-17(11-9-16)14(18)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide?
N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113104066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).