N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C19H34N4O2 — CID 131920628

IUPACN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCN1CCN([C@H]2COC[C@@H]2NC(=O)C2(N3CCCC3)CCCC2)CC1
InChIInChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)17-15-25-14-16(17)20-18(24)19(6-2-3-7-19)23-8-4-5-9-23/h16-17H,2-15H2,1H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyRTXCXXZFCGGYBO-IRXDYDNUSA-N
MW350.51 g/mol
LogP0.53
Rot. Bonds4

About N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 131920628) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID131920628
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCN1CCN([C@H]2COC[C@@H]2NC(=O)C2(N3CCCC3)CCCC2)CC1
InChIInChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)17-15-25-14-16(17)20-18(24)19(6-2-3-7-19)23-8-4-5-9-23/h16-17H,2-15H2,1H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyRTXCXXZFCGGYBO-IRXDYDNUSA-N
XLogP0.53
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 131920628) is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CN1CCN([C@H]2COC[C@@H]2NC(=O)C2(N3CCCC3)CCCC2)CC1.
What is the InChIKey of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is RTXCXXZFCGGYBO-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)17-15-25-14-16(17)20-18(24)19(6-2-3-7-19)23-8-4-5-9-23/h16-17H,2-15H2,1H3,(H,20,24)/t16-,17-/m0/s1.
What are the key properties of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 131920628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).