N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide

C12H25N5O2 — CID 83121763

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCNC(=O)N(C)C)N1CCNCC1
InChIInChI=1S/C12H25N5O2/c1-10(17-8-6-13-7-9-17)11(18)14-4-5-15-12(19)16(2)3/h10,13H,4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyWHEIKHUDSSHSEE-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.33
Rot. Bonds5

About N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide

N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 83121763) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID83121763
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCNC(=O)N(C)C)N1CCNCC1
InChIInChI=1S/C12H25N5O2/c1-10(17-8-6-13-7-9-17)11(18)14-4-5-15-12(19)16(2)3/h10,13H,4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyWHEIKHUDSSHSEE-UHFFFAOYSA-N
XLogP-1.33
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
CID 115407717
N-pent-3-ynyl-2-piperazin-1-ylpropanamide
CID 116644676
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43566424

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide (CID 83121763) is N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide is CC(C(=O)NCCNC(=O)N(C)C)N1CCNCC1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is WHEIKHUDSSHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-10(17-8-6-13-7-9-17)11(18)14-4-5-15-12(19)16(2)3/h10,13H,4-9H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 271.36 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 83121763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).