N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide

C29H33N3O2 — CID 10139137

IUPACN-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCOc3ccc(CN4CCCCC4)cc3)ccc21
InChIInChI=1S/C29H33N3O2/c1-2-32-27-9-5-4-8-25(27)26-20-23(12-15-28(26)32)30-29(33)16-19-34-24-13-10-22(11-14-24)21-31-17-6-3-7-18-31/h4-5,8-15,20H,2-3,6-7,16-19,21H2,1H3,(H,30,33)
InChIKeySNYPTJHOVOIVQY-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.21
Rot. Bonds8

About N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide

N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide (PubChem CID 10139137) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
PubChem CID10139137
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCOc3ccc(CN4CCCCC4)cc3)ccc21
InChIInChI=1S/C29H33N3O2/c1-2-32-27-9-5-4-8-25(27)26-20-23(12-15-28(26)32)30-29(33)16-19-34-24-13-10-22(11-14-24)21-31-17-6-3-7-18-31/h4-5,8-15,20H,2-3,6-7,16-19,21H2,1H3,(H,30,33)
InChIKeySNYPTJHOVOIVQY-UHFFFAOYSA-N
XLogP6.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
CID 38104347
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-3-quinolin-7-yloxypropanamide
CID 10201571
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide (CID 10139137) is N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide is CCn1c2ccccc2c2cc(NC(=O)CCOc3ccc(CN4CCCCC4)cc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide?
The InChIKey is SNYPTJHOVOIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-2-32-27-9-5-4-8-25(27)26-20-23(12-15-28(26)32)30-29(33)16-19-34-24-13-10-22(11-14-24)21-31-17-6-3-7-18-31/h4-5,8-15,20H,2-3,6-7,16-19,21H2,1H3,(H,30,33).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide?
N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide has a molecular weight of 455.60 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide is sourced from PubChem (CID 10139137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).