CID 177426627

C48H84N8O8 — CID 177426627

IUPAC—
SMILESCC1(C)CC(C(=O)N2CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CC2)CC(C)(C)N1[O]
InChIInChI=1S/C48H84N8O8/c1-41(2)25-33(26-42(3,4)53(41)61)37(57)49-17-19-50(38(58)34-27-43(5,6)54(62)44(7,8)28-34)21-23-52(40(60)36-31-47(13,14)56(64)48(15,16)32-36)24-22-51(20-18-49)39(59)35-29-45(9,10)55(63)46(11,12)30-35/h33-36H,17-32H2,1-16H3
InChIKeyYGTAWUFHKAMHIP-UHFFFAOYSA-N
MW901.25 g/mol
LogP5.77
Rot. Bonds4

About CID 177426627

CID 177426627 (PubChem CID 177426627) has the molecular formula C48H84N8O8 and a molecular weight of 901.25 g/mol.

Molecular Properties

Compound NameCID 177426627
PubChem CID177426627
Molecular FormulaC48H84N8O8
Molecular Weight901.25 g/mol
Exact Mass900.64
IUPAC Name—
SMILESCC1(C)CC(C(=O)N2CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CC2)CC(C)(C)N1[O]
InChIInChI=1S/C48H84N8O8/c1-41(2)25-33(26-42(3,4)53(41)61)37(57)49-17-19-50(38(58)34-27-43(5,6)54(62)44(7,8)28-34)21-23-52(40(60)36-31-47(13,14)56(64)48(15,16)32-36)24-22-51(20-18-49)39(59)35-29-45(9,10)55(63)46(11,12)30-35/h33-36H,17-32H2,1-16H3
InChIKeyYGTAWUFHKAMHIP-UHFFFAOYSA-N
XLogP5.77
TPSA173.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.25
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl
CID 71297228
CID 102063381
CID 102063381
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
CID 101452840
CID 101452840
[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817834
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90973714

Frequently Asked Questions

What is the IUPAC name of CID 177426627?
The IUPAC name of CID 177426627 (CID 177426627) is not available.
What is the SMILES notation for CID 177426627?
The canonical SMILES for CID 177426627 is CC1(C)CC(C(=O)N2CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CCN(C(=O)C3CC(C)(C)N([O])C(C)(C)C3)CC2)CC(C)(C)N1[O].
What is the InChIKey of CID 177426627?
The InChIKey is YGTAWUFHKAMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84N8O8/c1-41(2)25-33(26-42(3,4)53(41)61)37(57)49-17-19-50(38(58)34-27-43(5,6)54(62)44(7,8)28-34)21-23-52(40(60)36-31-47(13,14)56(64)48(15,16)32-36)24-22-51(20-18-49)39(59)35-29-45(9,10)55(63)46(11,12)30-35/h33-36H,17-32H2,1-16H3.
What are the key properties of CID 177426627?
CID 177426627 has a molecular weight of 901.25 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177426627 is sourced from PubChem (CID 177426627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).