1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea

C21H35N5O2 — CID 69341567

IUPAC1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(N)=O)C(C)Cc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C21H35N5O2/c1-17(26(21(22)27)13-14-28-2)15-18-7-8-20(23-16-18)25-11-9-24(10-12-25)19-5-3-4-6-19/h7-8,16-17,19H,3-6,9-15H2,1-2H3,(H2,22,27)
InChIKeyKDZREGQAYCRCEE-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.10
Rot. Bonds8

About 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea

1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea (PubChem CID 69341567) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea
PubChem CID69341567
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(N)=O)C(C)Cc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C21H35N5O2/c1-17(26(21(22)27)13-14-28-2)15-18-7-8-20(23-16-18)25-11-9-24(10-12-25)19-5-3-4-6-19/h7-8,16-17,19H,3-6,9-15H2,1-2H3,(H2,22,27)
InChIKeyKDZREGQAYCRCEE-UHFFFAOYSA-N
XLogP2.10
TPSA74.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

3-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-1-(2-methoxyethyl)-1-propan-2-ylurea
CID 68941336
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 11567045
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
CID 11638768
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea (CID 69341567) is 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea is COCCN(C(N)=O)C(C)Cc1ccc(N2CCN(C3CCCC3)CC2)nc1.
What is the InChIKey of 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea?
The InChIKey is KDZREGQAYCRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-17(26(21(22)27)13-14-28-2)15-18-7-8-20(23-16-18)25-11-9-24(10-12-25)19-5-3-4-6-19/h7-8,16-17,19H,3-6,9-15H2,1-2H3,(H2,22,27).
What are the key properties of 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea?
1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea has a molecular weight of 389.54 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 69341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).