N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C18H29N5O2 — CID 134383510

IUPACN-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(C)nc2N)CC1
InChIInChI=1S/C18H29N5O2/c1-11-16(17(19)22-13(3)20-11)6-5-15-7-9-23(10-8-15)18(25)12(2)21-14(4)24/h12,15H,5-10H2,1-4H3,(H,21,24)(H2,19,20,22)/t12-/m0/s1
InChIKeyKSQBBUMKFQPYCH-LBPRGKRZSA-N
MW347.46 g/mol
LogP1.37
Rot. Bonds5

About N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 134383510) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID134383510
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(C)nc2N)CC1
InChIInChI=1S/C18H29N5O2/c1-11-16(17(19)22-13(3)20-11)6-5-15-7-9-23(10-8-15)18(25)12(2)21-14(4)24/h12,15H,5-10H2,1-4H3,(H,21,24)(H2,19,20,22)/t12-/m0/s1
InChIKeyKSQBBUMKFQPYCH-LBPRGKRZSA-N
XLogP1.37
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 134383510) is N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(C)nc2N)CC1.
What is the InChIKey of N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is KSQBBUMKFQPYCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-11-16(17(19)22-13(3)20-11)6-5-15-7-9-23(10-8-15)18(25)12(2)21-14(4)24/h12,15H,5-10H2,1-4H3,(H,21,24)(H2,19,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[2-(4-amino-2,6-dimethylpyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 134383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).