N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C20H23N5O2 — CID 122571012

IUPACN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)NCc2nc3c(C)cccc3o2)CC1
InChIInChI=1S/C20H23N5O2/c1-14-5-3-7-16-18(14)23-17(27-16)13-22-20(26)25-11-9-24(10-12-25)19-15(2)6-4-8-21-19/h3-8H,9-13H2,1-2H3,(H,22,26)
InChIKeyBHFCMBYXQRFFKC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.87
Rot. Bonds3

About N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 122571012) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID122571012
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)NCc2nc3c(C)cccc3o2)CC1
InChIInChI=1S/C20H23N5O2/c1-14-5-3-7-16-18(14)23-17(27-16)13-22-20(26)25-11-9-24(10-12-25)19-15(2)6-4-8-21-19/h3-8H,9-13H2,1-2H3,(H,22,26)
InChIKeyBHFCMBYXQRFFKC-UHFFFAOYSA-N
XLogP2.87
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122559189
1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
CID 90651702
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131896751
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 91788014
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
CID 174195286
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 154563389
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 122571012) is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)NCc2nc3c(C)cccc3o2)CC1.
What is the InChIKey of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is BHFCMBYXQRFFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-5-3-7-16-18(14)23-17(27-16)13-22-20(26)25-11-9-24(10-12-25)19-15(2)6-4-8-21-19/h3-8H,9-13H2,1-2H3,(H,22,26).
What are the key properties of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 122571012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).