N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide

C22H30N4O2 — CID 67988092

IUPACN-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide
SMILESCCCOc1ccnc(N2CCC(c3ccc([C@H](C)NC(C)=O)cc3)CC2)n1
InChIInChI=1S/C22H30N4O2/c1-4-15-28-21-9-12-23-22(25-21)26-13-10-20(11-14-26)19-7-5-18(6-8-19)16(2)24-17(3)27/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyDXNKZUKLYCUFRZ-INIZCTEOSA-N
MW382.51 g/mol
LogP3.85
Rot. Bonds7

About N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide (PubChem CID 67988092) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide
PubChem CID67988092
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide
SMILESCCCOc1ccnc(N2CCC(c3ccc([C@H](C)NC(C)=O)cc3)CC2)n1
InChIInChI=1S/C22H30N4O2/c1-4-15-28-21-9-12-23-22(25-21)26-13-10-20(11-14-26)19-7-5-18(6-8-19)16(2)24-17(3)27/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyDXNKZUKLYCUFRZ-INIZCTEOSA-N
XLogP3.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 87279084
N-[(1S)-1-[4-[1-(6-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 86666705
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123514893
N-[(1S)-1-[4-[1-(3-chloro-4-hydroxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 67987992
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide (CID 67988092) is N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide is CCCOc1ccnc(N2CCC(c3ccc([C@H](C)NC(C)=O)cc3)CC2)n1.
What is the InChIKey of N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide?
The InChIKey is DXNKZUKLYCUFRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-15-28-21-9-12-23-22(25-21)26-13-10-20(11-14-26)19-7-5-18(6-8-19)16(2)24-17(3)27/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 67988092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).