1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea

C12H24N4O — CID 117234533

IUPAC1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESCN1CCC(NC(=O)NCC2CCNC2)CC1
InChIInChI=1S/C12H24N4O/c1-16-6-3-11(4-7-16)15-12(17)14-9-10-2-5-13-8-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17)
InChIKeyDKIGTLNKYZWNHV-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.01
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea

1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea (PubChem CID 117234533) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
PubChem CID117234533
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESCN1CCC(NC(=O)NCC2CCNC2)CC1
InChIInChI=1S/C12H24N4O/c1-16-6-3-11(4-7-16)15-12(17)14-9-10-2-5-13-8-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17)
InChIKeyDKIGTLNKYZWNHV-UHFFFAOYSA-N
XLogP-0.01
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234848
1-(1-methylpiperidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234938
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea (CID 117234533) is 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea is CN1CCC(NC(=O)NCC2CCNC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea?
The InChIKey is DKIGTLNKYZWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-16-6-3-11(4-7-16)15-12(17)14-9-10-2-5-13-8-10/h10-11,13H,2-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea?
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea has a molecular weight of 240.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea is sourced from PubChem (CID 117234533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).