N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide

C14H27N3O2 — CID 130370626

IUPACN,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1N1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)14(19)12-11-13(12)17-7-5-15(6-8-17)9-10-18/h12-13,18H,3-11H2,1-2H3
InChIKeyIXLVDPCGDWZRRT-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.15
Rot. Bonds6

About N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide

N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide (PubChem CID 130370626) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide
PubChem CID130370626
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1CC1N1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)14(19)12-11-13(12)17-7-5-15(6-8-17)9-10-18/h12-13,18H,3-11H2,1-2H3
InChIKeyIXLVDPCGDWZRRT-UHFFFAOYSA-N
XLogP-0.15
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide (CID 130370626) is N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide is CCN(CC)C(=O)C1CC1N1CCN(CCO)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide?
The InChIKey is IXLVDPCGDWZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16(4-2)14(19)12-11-13(12)17-7-5-15(6-8-17)9-10-18/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide?
N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130370626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).