N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide

C14H21N5O2 — CID 126780709

IUPACN-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccnc(N2CCN(C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-2-21-12-5-6-15-13(17-12)18-7-9-19(10-8-18)14(20)16-11-3-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,16,20)
InChIKeyCLSZHBMYTXCRPE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.87
Rot. Bonds4

About N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide

N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide (PubChem CID 126780709) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
PubChem CID126780709
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccnc(N2CCN(C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-2-21-12-5-6-15-13(17-12)18-7-9-19(10-8-18)14(20)16-11-3-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,16,20)
InChIKeyCLSZHBMYTXCRPE-UHFFFAOYSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024296
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905423
4-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]amino]butanoic acid
CID 122022127
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
1-(4-ethoxypyrimidin-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 146142616
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzaldehyde
CID 87801234
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 86967389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide (CID 126780709) is N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide is CCOc1ccnc(N2CCN(C(=O)NC3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide?
The InChIKey is CLSZHBMYTXCRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-21-12-5-6-15-13(17-12)18-7-9-19(10-8-18)14(20)16-11-3-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,16,20).
What are the key properties of N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide?
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126780709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).