N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide

C19H37N5O3 — CID 42710406

IUPACN-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(NC(=O)NCC)C(C)CC)CC1C
InChIInChI=1S/C19H37N5O3/c1-6-9-10-21-19(27)24-12-11-23(13-15(24)5)17(25)16(14(4)7-2)22-18(26)20-8-3/h14-16H,6-13H2,1-5H3,(H,21,27)(H2,20,22,26)
InChIKeyQLBDQXMAXGDKTD-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.76
Rot. Bonds8

About N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide

N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide (PubChem CID 42710406) has the molecular formula C19H37N5O3 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
PubChem CID42710406
Molecular FormulaC19H37N5O3
Molecular Weight383.54 g/mol
Exact Mass383.29
IUPAC NameN-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(NC(=O)NCC)C(C)CC)CC1C
InChIInChI=1S/C19H37N5O3/c1-6-9-10-21-19(27)24-12-11-23(13-15(24)5)17(25)16(14(4)7-2)22-18(26)20-8-3/h14-16H,6-13H2,1-5H3,(H,21,27)(H2,20,22,26)
InChIKeyQLBDQXMAXGDKTD-UHFFFAOYSA-N
XLogP1.76
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42724923
4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710442
N-ethyl-2-methyl-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide
CID 42708174
N-butyl-2-methyl-4-[3-methyl-2-[(3-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide
CID 42724930
2-chloro-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]acetamide
CID 4316747
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42707755
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
ethyl 4-[[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 42707635
4-[2-(3-cyclopentylpropanoylamino)-3-methylpentanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42724893
6-amino-N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42764522
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide (CID 42710406) is N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(C(=O)C(NC(=O)NCC)C(C)CC)CC1C.
What is the InChIKey of N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is QLBDQXMAXGDKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O3/c1-6-9-10-21-19(27)24-12-11-23(13-15(24)5)17(25)16(14(4)7-2)22-18(26)20-8-3/h14-16H,6-13H2,1-5H3,(H,21,27)(H2,20,22,26).
What are the key properties of N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide?
N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42710406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).