1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea

C21H31N5O2 — CID 50842271

IUPAC1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1cccnc1N1CCC(C(=O)N2CCCC2)CC1)NC1CCCC1
InChIInChI=1S/C21H31N5O2/c27-20(26-12-3-4-13-26)16-9-14-25(15-10-16)19-18(8-5-11-22-19)24-21(28)23-17-6-1-2-7-17/h5,8,11,16-17H,1-4,6-7,9-10,12-15H2,(H2,23,24,28)
InChIKeyZWXZYKPVDWMGSU-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.98
Rot. Bonds4

About 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea

1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea (PubChem CID 50842271) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea
PubChem CID50842271
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1cccnc1N1CCC(C(=O)N2CCCC2)CC1)NC1CCCC1
InChIInChI=1S/C21H31N5O2/c27-20(26-12-3-4-13-26)16-9-14-25(15-10-16)19-18(8-5-11-22-19)24-21(28)23-17-6-1-2-7-17/h5,8,11,16-17H,1-4,6-7,9-10,12-15H2,(H2,23,24,28)
InChIKeyZWXZYKPVDWMGSU-UHFFFAOYSA-N
XLogP2.98
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea (CID 50842271) is 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea is O=C(Nc1cccnc1N1CCC(C(=O)N2CCCC2)CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea?
The InChIKey is ZWXZYKPVDWMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c27-20(26-12-3-4-13-26)16-9-14-25(15-10-16)19-18(8-5-11-22-19)24-21(28)23-17-6-1-2-7-17/h5,8,11,16-17H,1-4,6-7,9-10,12-15H2,(H2,23,24,28).
What are the key properties of 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea?
1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea has a molecular weight of 385.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 50842271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).