1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

C19H30N4O2 — CID 51097892

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(CC3CCCC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-25-18-7-6-16(12-20-18)13-21-19(24)22-17-8-10-23(11-9-17)14-15-4-2-3-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3,(H2,21,22,24)
InChIKeyMKGLLACKQAYVJL-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.54
Rot. Bonds6

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (PubChem CID 51097892) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
PubChem CID51097892
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCN(CC3CCCC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-25-18-7-6-16(12-20-18)13-21-19(24)22-17-8-10-23(11-9-17)14-15-4-2-3-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3,(H2,21,22,24)
InChIKeyMKGLLACKQAYVJL-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (CID 51097892) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)NC2CCN(CC3CCCC3)CC2)cn1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is MKGLLACKQAYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-25-18-7-6-16(12-20-18)13-21-19(24)22-17-8-10-23(11-9-17)14-15-4-2-3-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51097892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).