N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide

C10H21N3O — CID 142778808

IUPACN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide
SMILESCC(C)N1CCN(CCNC=O)CC1
InChIInChI=1S/C10H21N3O/c1-10(2)13-7-5-12(6-8-13)4-3-11-9-14/h9-10H,3-8H2,1-2H3,(H,11,14)
InChIKeyDPWNARFSYYOPPH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide

N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide (PubChem CID 142778808) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide
PubChem CID142778808
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide
SMILESCC(C)N1CCN(CCNC=O)CC1
InChIInChI=1S/C10H21N3O/c1-10(2)13-7-5-12(6-8-13)4-3-11-9-14/h9-10H,3-8H2,1-2H3,(H,11,14)
InChIKeyDPWNARFSYYOPPH-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde
CID 82191
1-Formyl-4-isopropylpiperazine
CID 18796408
N-Isopropylpiperazine-1-carboxamide
CID 16740267
1-(2,6-Dimethylpiperazin-1-yl)ethan-1-one
CID 12914605
N-(2-(4-methylpiperazin-1-yl)ethyl)formamide
CID 18695595
3-(Fluoromethyl)piperazine-1-carbaldehyde
CID 141234480
4-(Azetidin-3-yl)piperazine-1-carbaldehyde;1,1,1-trifluoroethane
CID 144080383
3-Methylpiperazine-1-carbaldehyde
CID 10057526
N-(2-piperazin-1-ylethyl)formamide
CID 17781548
N-[2-(4-Formylpiperazin-1-YL)ethyl]formamide
CID 20337132
N,N'-bis(t-butyl)-N-formylethylenediamine
CID 12024353
2,5-Dimethylpiperazine-1-carbaldehyde
CID 255950

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide (CID 142778808) is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide is CC(C)N1CCN(CCNC=O)CC1.
What is the InChIKey of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide?
The InChIKey is DPWNARFSYYOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2)13-7-5-12(6-8-13)4-3-11-9-14/h9-10H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide?
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide has a molecular weight of 199.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 142778808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).