1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea

C18H35N3O2 — CID 75494433

IUPAC1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
SMILESCCC(CC(C)CO)NC(=O)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-3-16(10-14(2)13-22)19-18(23)20-17-8-9-21(12-17)11-15-6-4-5-7-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyJVSFABPZWMQRJO-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.35
Rot. Bonds8

About 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea (PubChem CID 75494433) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
PubChem CID75494433
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
SMILESCCC(CC(C)CO)NC(=O)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-3-16(10-14(2)13-22)19-18(23)20-17-8-9-21(12-17)11-15-6-4-5-7-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyJVSFABPZWMQRJO-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[2-[[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111995744
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508504
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
CID 123509031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea (CID 75494433) is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea is CCC(CC(C)CO)NC(=O)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea?
The InChIKey is JVSFABPZWMQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-16(10-14(2)13-22)19-18(23)20-17-8-9-21(12-17)11-15-6-4-5-7-15/h14-17,22H,3-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea?
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea has a molecular weight of 325.50 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea is sourced from PubChem (CID 75494433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).