N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

C23H36N4O3 — CID 124969198

IUPACN-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C23H36N4O3/c1-18(28)24-20-9-14-26(15-10-20)17-23(30)11-4-13-27(16-12-23)22(29)19-5-7-21(8-6-19)25(2)3/h5-8,20,30H,4,9-17H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyJHABKPYCQFVCEY-HSZRJFAPSA-N
MW416.57 g/mol
LogP1.71
Rot. Bonds5

About N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124969198) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124969198
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C23H36N4O3/c1-18(28)24-20-9-14-26(15-10-20)17-23(30)11-4-13-27(16-12-23)22(29)19-5-7-21(8-6-19)25(2)3/h5-8,20,30H,4,9-17H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyJHABKPYCQFVCEY-HSZRJFAPSA-N
XLogP1.71
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 124969198) is N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1.
What is the InChIKey of N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JHABKPYCQFVCEY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-18(28)24-20-9-14-26(15-10-20)17-23(30)11-4-13-27(16-12-23)22(29)19-5-7-21(8-6-19)25(2)3/h5-8,20,30H,4,9-17H2,1-3H3,(H,24,28)/t23-/m1/s1.
What are the key properties of N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 416.57 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).