1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea

C14H26N4O — CID 120849812

IUPAC1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)NC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19)
InChIKeyDIEWXQJJAMIHJC-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.52
Rot. Bonds4

About 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea

1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea (PubChem CID 120849812) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
PubChem CID120849812
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)NC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19)
InChIKeyDIEWXQJJAMIHJC-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 177096923
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-piperidin-3-ylacetamide
CID 62676308
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
N-cyclopropyl-2-(piperidin-3-ylmethylamino)acetamide
CID 80553600
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
N-(1-cyclopropylpyrrolidin-3-yl)-2-piperidin-3-ylacetamide
CID 62675472
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea (CID 120849812) is 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea is O=C(NC1CC1)NC1CCN(CC2CCCNC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
The InChIKey is DIEWXQJJAMIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c19-14(16-12-3-4-12)17-13-5-7-18(10-13)9-11-2-1-6-15-8-11/h11-13,15H,1-10H2,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea?
1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea has a molecular weight of 266.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 120849812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).