1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea

C18H30N4O — CID 95228273

IUPAC1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)NC(C)C)C2)nc1
InChIInChI=1S/C18H30N4O/c1-4-15-7-8-17(19-10-15)13-22-9-5-6-16(12-22)11-20-18(23)21-14(2)3/h7-8,10,14,16H,4-6,9,11-13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyHSCFNWCZHRWLNP-MRXNPFEDSA-N
MW318.47 g/mol
LogP2.56
Rot. Bonds6

About 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea

1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea (PubChem CID 95228273) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
PubChem CID95228273
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)NC(C)C)C2)nc1
InChIInChI=1S/C18H30N4O/c1-4-15-7-8-17(19-10-15)13-22-9-5-6-16(12-22)11-20-18(23)21-14(2)3/h7-8,10,14,16H,4-6,9,11-13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyHSCFNWCZHRWLNP-MRXNPFEDSA-N
XLogP2.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea (CID 95228273) is 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea is CCc1ccc(CN2CCC[C@H](CNC(=O)NC(C)C)C2)nc1.
What is the InChIKey of 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea?
The InChIKey is HSCFNWCZHRWLNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-15-7-8-17(19-10-15)13-22-9-5-6-16(12-22)11-20-18(23)21-14(2)3/h7-8,10,14,16H,4-6,9,11-13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea?
1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea has a molecular weight of 318.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 95228273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).