N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide

C23H37N3O2 — CID 24818970

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H37N3O2/c1-19(2)16-20-5-7-21(8-6-20)17-26-10-3-4-22(18-26)24-23(27)9-11-25-12-14-28-15-13-25/h5-8,19,22H,3-4,9-18H2,1-2H3,(H,24,27)
InChIKeyDPRQUSMETAAYPW-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.69
Rot. Bonds8

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide (PubChem CID 24818970) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide
PubChem CID24818970
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCOCC3)C2)cc1
InChIInChI=1S/C23H37N3O2/c1-19(2)16-20-5-7-21(8-6-20)17-26-10-3-4-22(18-26)24-23(27)9-11-25-12-14-28-15-13-25/h5-8,19,22H,3-4,9-18H2,1-2H3,(H,24,27)
InChIKeyDPRQUSMETAAYPW-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide (CID 24818970) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCOCC3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is DPRQUSMETAAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(2)16-20-5-7-21(8-6-20)17-26-10-3-4-22(18-26)24-23(27)9-11-25-12-14-28-15-13-25/h5-8,19,22H,3-4,9-18H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 387.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 24818970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).