N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

C24H29N3OS — CID 24793320

IUPACN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCC(C)c1csc(CN2CCCC(CNC(=O)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C24H29N3OS/c1-17(2)22-16-29-23(26-22)15-27-12-6-7-18(14-27)13-25-24(28)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-11,16-18H,6-7,12-15H2,1-2H3,(H,25,28)
InChIKeyKSRFHOQCQXMEIG-UHFFFAOYSA-N
MW407.58 g/mol
LogP5.06
Rot. Bonds6

About N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 24793320) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID24793320
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC NameN-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCC(C)c1csc(CN2CCCC(CNC(=O)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C24H29N3OS/c1-17(2)22-16-29-23(26-22)15-27-12-6-7-18(14-27)13-25-24(28)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-11,16-18H,6-7,12-15H2,1-2H3,(H,25,28)
InChIKeyKSRFHOQCQXMEIG-UHFFFAOYSA-N
XLogP5.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 24793320) is N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is CC(C)c1csc(CN2CCCC(CNC(=O)c3cccc4ccccc34)C2)n1.
What is the InChIKey of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is KSRFHOQCQXMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-17(2)22-16-29-23(26-22)15-27-12-6-7-18(14-27)13-25-24(28)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-11,16-18H,6-7,12-15H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 24793320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).