N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide

C14H25N5O — CID 77085237

IUPACN,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)n1cncc1CN1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-12(2)19-11-15-9-13(19)10-17-5-7-18(8-6-17)14(20)16(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyAQHWZZYDQUTZPB-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.26
Rot. Bonds3

About N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide

N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 77085237) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID77085237
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)n1cncc1CN1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-12(2)19-11-15-9-13(19)10-17-5-7-18(8-6-17)14(20)16(3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyAQHWZZYDQUTZPB-UHFFFAOYSA-N
XLogP1.26
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide (CID 77085237) is N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide is CC(C)n1cncc1CN1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AQHWZZYDQUTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12(2)19-11-15-9-13(19)10-17-5-7-18(8-6-17)14(20)16(3)4/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 77085237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).