N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

C21H33N5O3 — CID 124984919

IUPACN-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3C)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-15-19(13-22-16(2)23-15)20(28)26-9-4-7-21(29,8-12-26)14-25-10-5-18(6-11-25)24-17(3)27/h13,18,29H,4-12,14H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyNOBNZDWZNFLASO-OAQYLSRUSA-N
MW403.53 g/mol
LogP1.05
Rot. Bonds4

About N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124984919) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124984919
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC NameN-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3C)CC2)CC1
InChIInChI=1S/C21H33N5O3/c1-15-19(13-22-16(2)23-15)20(28)26-9-4-7-21(29,8-12-26)14-25-10-5-18(6-11-25)24-17(3)27/h13,18,29H,4-12,14H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyNOBNZDWZNFLASO-OAQYLSRUSA-N
XLogP1.05
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 124984919) is N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3C)CC2)CC1.
What is the InChIKey of N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is NOBNZDWZNFLASO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-15-19(13-22-16(2)23-15)20(28)26-9-4-7-21(29,8-12-26)14-25-10-5-18(6-11-25)24-17(3)27/h13,18,29H,4-12,14H2,1-3H3,(H,24,27)/t21-/m1/s1.
What are the key properties of N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124984919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).